Found 109 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193812
(CHEMBL3908493)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193823
(CHEMBL3934268)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193807
(CHEMBL3961771)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193813
(CHEMBL3934099)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193807
(CHEMBL3961771)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193823
(CHEMBL3934268)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193809
(CHEMBL3890564)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193809
(CHEMBL3890564)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193818
(CHEMBL3925372)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193817
(CHEMBL3918616)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193824
(CHEMBL3961598)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193824
(CHEMBL3961598)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193822
(CHEMBL3972807)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193818
(CHEMBL3925372)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193815
(CHEMBL3943236)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193819
(CHEMBL3945332)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193813
(CHEMBL3934099)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193816
(CHEMBL3951972)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CC(CCCc3c2OC)NCCOC)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C27H35ClN6O3/c1-36-11-10-30-18-4-3-5-19-15(13-18)8-9-21(24(19)37-2)32-27-31-14-20(28)26(34-27)33-23-17-7-6-16(12-17)22(23)25(29)35/h6-9,14,16-18,22-23,30H,3-5,10-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18?,22+,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193825
(CHEMBL3953048)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193825
(CHEMBL3953048)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193813
(CHEMBL3934099)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193823
(CHEMBL3934268)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB
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UniProtKB/SwissProt
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193822
(CHEMBL3972807)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1 | PDB
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UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193821
(CHEMBL3917455)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CCCC(Cc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-14-19(35-9-11-38-12-10-35)4-2-3-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193817
(CHEMBL3918616)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193809
(CHEMBL3890564)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB
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UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193807
(CHEMBL3961771)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193820
(CHEMBL3943066)Show SMILES COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C29H37ClN6O3/c1-38-26-9-4-3-8-24(26)32-28-23(30)19-31-29(34-28)33-25-11-10-20-18-21(6-5-7-22(20)27(25)39-2)36-14-12-35(13-15-36)16-17-37/h3-4,8-11,19,21,37H,5-7,12-18H2,1-2H3,(H2,31,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193820
(CHEMBL3943066)Show SMILES COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C29H37ClN6O3/c1-38-26-9-4-3-8-24(26)32-28-23(30)19-31-29(34-28)33-25-11-10-20-18-21(6-5-7-22(20)27(25)39-2)36-14-12-35(13-15-36)16-17-37/h3-4,8-11,19,21,37H,5-7,12-18H2,1-2H3,(H2,31,32,33,34) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193824
(CHEMBL3961598)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB
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UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193815
(CHEMBL3943236)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193818
(CHEMBL3925372)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36) | PDB
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Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193817
(CHEMBL3918616)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of FAK phosphorylation in human HCC827 cells after 2 to 2.5 hrs by immunoblot analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of EML4-ALK tyrosine phosphorylation in human NCI-H3122 cells |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193812
(CHEMBL3908493)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193809
(CHEMBL3890564)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36) | PDB MMDB
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UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193818
(CHEMBL3925372)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB
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UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of EML4-ALK tyrosine phosphorylation in human NCI-H2228 cells |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193817
(CHEMBL3918616)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 382 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193822
(CHEMBL3972807)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 403 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193815
(CHEMBL3943236)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 435 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 508 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 662 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193824
(CHEMBL3961598)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 722 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193823
(CHEMBL3934268)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 736 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193813
(CHEMBL3934099)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 814 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193820
(CHEMBL3943066)Show SMILES COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C29H37ClN6O3/c1-38-26-9-4-3-8-24(26)32-28-23(30)19-31-29(34-28)33-25-11-10-20-18-21(6-5-7-22(20)27(25)39-2)36-14-12-35(13-15-36)16-17-37/h3-4,8-11,19,21,37H,5-7,12-18H2,1-2H3,(H2,31,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 915 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 944 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of FAK phosphorylation in human HCC827 cells after 2 to 2.5 hrs by immunoblot analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193819
(CHEMBL3945332)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 994 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193816
(CHEMBL3951972)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CC(CCCc3c2OC)NCCOC)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C27H35ClN6O3/c1-36-11-10-30-18-4-3-5-19-15(13-18)8-9-21(24(19)37-2)32-27-31-14-20(28)26(34-27)33-23-17-7-6-16(12-17)22(23)25(29)35/h6-9,14,16-18,22-23,30H,3-5,10-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18?,22+,23-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193807
(CHEMBL3961771)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193825
(CHEMBL3953048)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H38ClN7O4S/c1-41-27-22-7-5-6-21(37-14-12-36(13-15-37)16-17-38)18-20(22)10-11-26(27)33-29-31-19-23(30)28(34-29)32-24-8-3-4-9-25(24)35-42(2,39)40/h3-4,8-11,19,21,35,38H,5-7,12-18H2,1-2H3,(H2,31,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of INSR (unknown origin) by cell based assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193818
(CHEMBL3925372)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193813
(CHEMBL3934099)Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193815
(CHEMBL3943236)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of INSR (unknown origin) by cell based assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193822
(CHEMBL3972807)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50193808
(CHEMBL3936443)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20+,24+,25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50389154
(CHEMBL2064666)Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50193821
(CHEMBL3917455)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CCCC(Cc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-14-19(35-9-11-38-12-10-35)4-2-3-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50193814
(CHEMBL3980825)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50193811
(CHEMBL3951811)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description Binding affinity to human ALK (1088 to 1409 residues) expressed in mammalian system by KINOMEscan assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this Ligand-Target Pair | |