Found 355 hits with Last Name = 'nickerson-nutter' and Initial = 'c' 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 |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate preincubated for 60 mins measured after 60 mins by ... |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357313
(CHEMBL1916712)Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCOCC1 Show InChI InChI=1S/C26H26N6O3/c1-18-6-3-4-7-19(18)29-26-23-16-27-17-32(23)22-14-21(24(34-2)15-20(22)30-26)28-25(33)8-5-9-31-10-12-35-13-11-31/h3-4,6-7,14-17H,9-13H2,1-2H3,(H,28,33)(H,29,30) | 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 | 0.847 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357314
(CHEMBL1916713)Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C#CCN1CCCCC1 Show InChI InChI=1S/C27H28N6O2/c1-19-9-4-5-10-20(19)30-27-24-17-28-18-33(24)23-15-22(25(35-2)16-21(23)31-27)29-26(34)11-8-14-32-12-6-3-7-13-32/h4-5,9-10,15-18H,3,6-7,12-14H2,1-2H3,(H,29,34)(H,30,31) | 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 | 0.847 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357316
(CHEMBL1916715)Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H26N6O2/c1-16-8-5-6-9-17(16)27-24-21-14-25-15-30(21)20-12-19(22(32-4)13-18(20)28-24)26-23(31)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,26,31)(H,27,28)/b10-7+ | 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 | 0.884 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of EGFR preincubated for 60 mins measured after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.53 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BMX relative to control |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50357321
(CHEMBL1916879)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c3cncn3c2c1 Show InChI InChI=1S/C32H30F3N7O2/c1-20-10-11-23(37-31(44)21-7-5-8-22(15-21)32(33,34)35)16-26(20)39-30-28-18-36-19-42(28)27-17-24(12-13-25(27)38-30)41(4)29(43)9-6-14-40(2)3/h5-13,15-19H,14H2,1-4H3,(H,37,44)(H,38,39)/b9-6+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357330
(CHEMBL1916888)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(O)ccc3C)c3cncn3c2c1 Show InChI InChI=1S/C24H26N6O2/c1-16-7-9-18(31)13-20(16)27-24-22-14-25-15-30(22)21-12-17(8-10-19(21)26-24)29(4)23(32)6-5-11-28(2)3/h5-10,12-15,31H,11H2,1-4H3,(H,26,27)/b6-5+ | 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 | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357334
(CHEMBL1916892)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1Cl)c1cncn21 Show InChI InChI=1S/C23H22ClFN6O/c1-29(2)10-6-9-22(32)30(3)19-12-20-18(11-16(19)25)28-23(21-13-26-14-31(20)21)27-17-8-5-4-7-15(17)24/h4-9,11-14H,10H2,1-3H3,(H,27,28)/b9-6+ | 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 | 1.82 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357324
(CHEMBL1916882)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cccc(F)c3C)c3cncn3c2c1 Show InChI InChI=1S/C24H25FN6O/c1-16-18(25)7-5-8-19(16)27-24-22-14-26-15-31(22)21-13-17(10-11-20(21)28-24)30(4)23(32)9-6-12-29(2)3/h5-11,13-15H,12H2,1-4H3,(H,27,28)/b9-6+ | 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 | 1.89 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | 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 | 1.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357315
(CHEMBL1916714)Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C(=C)CN1CCOCC1 Show InChI InChI=1S/C26H28N6O3/c1-17-6-4-5-7-19(17)28-25-23-14-27-16-32(23)22-12-21(24(34-3)13-20(22)29-25)30-26(33)18(2)15-31-8-10-35-11-9-31/h4-7,12-14,16H,2,8-11,15H2,1,3H3,(H,28,29)(H,30,33) | 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 | 2.52 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357339
(CHEMBL1916897)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21 Show InChI InChI=1S/C24H24ClFN6O/c1-15-7-8-16(26)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+ | 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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate preincubated for 60 mins measured after 60 mins by ... |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357323
(CHEMBL1916881)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(F)cc3C)c3cncn3c2c1 Show InChI InChI=1S/C24H25FN6O/c1-16-12-17(25)7-9-19(16)27-24-22-14-26-15-31(22)21-13-18(8-10-20(21)28-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+ | 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 | 2.96 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM23498
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en... |
J Pharmacol Exp Ther 309: 348-55 (2004)
Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50194998
(4-(3-chloro-4-fluorophenylamino)-6-((5-methyl-1H-i...)Show SMILES Cc1nc[nH]c1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C21H16ClFN6/c1-12-20(28-11-27-12)10-25-14-3-5-19-16(6-14)21(13(8-24)9-26-19)29-15-2-4-18(23)17(22)7-15/h2-7,9,11,25H,10H2,1H3,(H,26,29)(H,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of Tpl2 kinase by ELISA |
Bioorg Med Chem Lett 16: 6067-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.102 BindingDB Entry DOI: 10.7270/Q2W958TR |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50194988
(4-(3-chloro-4-fluorophenylamino)-6-((1,5-dimethyl-...)Show SMILES Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)ncn1C Show InChI InChI=1S/C22H18ClFN6/c1-13-21(28-12-30(13)2)11-26-15-4-6-20-17(7-15)22(14(9-25)10-27-20)29-16-3-5-19(24)18(23)8-16/h3-8,10,12,26H,11H2,1-2H3,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of Tpl2 kinase by ELISA |
Bioorg Med Chem Lett 16: 6067-72 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.102 BindingDB Entry DOI: 10.7270/Q2W958TR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | 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 | 3.31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BTK relative to control |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357322
(CHEMBL1916880)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(F)ccc3C)c3cncn3c2c1 Show InChI InChI=1S/C24H25FN6O/c1-16-7-8-17(25)12-20(16)28-24-22-14-26-15-31(22)21-13-18(9-10-19(21)27-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+ | 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 | 3.33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50357339
(CHEMBL1916897)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21 Show InChI InChI=1S/C24H24ClFN6O/c1-15-7-8-16(26)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of EGFR preincubated for 60 mins measured after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357339
(CHEMBL1916897)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21 Show InChI InChI=1S/C24H24ClFN6O/c1-15-7-8-16(26)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+ | 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 | 3.98 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357319
(CHEMBL1916718)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccccc3C)c3cncn3c2c1 Show InChI InChI=1S/C24H26N6O/c1-17-8-5-6-9-19(17)26-24-22-15-25-16-30(22)21-14-18(11-12-20(21)27-24)29(4)23(31)10-7-13-28(2)3/h5-12,14-16H,13H2,1-4H3,(H,26,27)/b10-7+ | 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 | 3.99 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM23498
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en... |
J Pharmacol Exp Ther 309: 348-55 (2004)
Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357337
(CHEMBL1916895)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25ClN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | 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 | 4.83 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201921
(2-Biphenyl-4-yl-6-fluoro-3-hydroxy-quinoline-4-car...)Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(H,26,27) | PDB MMDB
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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357338
(CHEMBL1916896)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccccc1Cl)c1cncn21 Show InChI InChI=1S/C23H22Cl2N6O/c1-29(2)10-6-9-22(32)30(3)19-12-20-18(11-16(19)25)28-23(21-13-26-14-31(20)21)27-17-8-5-4-7-15(17)24/h4-9,11-14H,10H2,1-3H3,(H,27,28)/b9-6+ | 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 | 5.03 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357336
(CHEMBL1916894)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccc(F)cc1C)c1cncn21 Show InChI InChI=1S/C24H24F2N6O/c1-15-10-16(25)7-8-18(15)28-24-22-13-27-14-32(22)21-12-20(17(26)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+ | 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 | 5.35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357341
(CHEMBL1916899)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H24FN5O2/c1-16-8-5-6-9-22(16)32-24-21-14-26-15-30(21)20-13-19(17(25)12-18(20)27-24)29(4)23(31)10-7-11-28(2)3/h5-10,12-15H,11H2,1-4H3/b10-7+ | 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 | 5.51 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ErbB1 relative to control |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytosolic phospholipase A2
(Homo sapiens (Human)) | BDBM50292791
(4-{3-[2-{2-[({2-[(4-Acetylpiperazin-1-yl)methyl]be...)Show SMILES CC(=O)N1CCN(Cc2ccccc2CS(=O)(=O)NCCc2c(CCCc3ccc(cc3)C(O)=O)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C47H49ClN4O5S/c1-34(53)51-29-27-50(28-30-51)32-39-16-8-9-17-40(39)33-58(56,57)49-26-25-45-42(18-10-11-35-19-21-38(22-20-35)47(54)55)43-31-41(48)23-24-44(43)52(45)46(36-12-4-2-5-13-36)37-14-6-3-7-15-37/h2-9,12-17,19-24,31,46,49H,10-11,18,25-30,32-33H2,1H3,(H,54,55) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic PLA2alpha by GLU micelle assay |
J Med Chem 52: 1156-71 (2009)
Article DOI: 10.1021/jm8009876 BindingDB Entry DOI: 10.7270/Q20C4VSK |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201945
(6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-...)Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H14FNO4/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27) | PDB MMDB
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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201923
(3-hydroxy-2-(4'-hydroxy-biphenyl-4-yl)-quinoline-4...)Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H15NO4/c24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)20-21(25)19(22(26)27)17-3-1-2-4-18(17)23-20/h1-12,24-25H,(H,26,27) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357344
(CHEMBL1916902)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Oc3ccc(F)cc3C)c3cncn3c2c1 Show InChI InChI=1S/C24H24FN5O2/c1-16-12-17(25)7-10-22(16)32-24-21-14-26-15-30(21)20-13-18(8-9-19(20)27-24)29(4)23(31)6-5-11-28(2)3/h5-10,12-15H,11H2,1-4H3/b6-5+ | 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 | 6.58 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM23498
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en... |
J Pharmacol Exp Ther 309: 348-55 (2004)
Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357335
(CHEMBL1916893)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1cc(F)ccc1C)c1cncn21 Show InChI InChI=1S/C24H24F2N6O/c1-15-7-8-16(25)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(26)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+ | 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 | 6.76 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201925
(2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARB...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201905
(3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxyli...)Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H15NO4/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H,(H,25,26) | PDB MMDB
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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201919
(6-fluoro-3-hydroxy-2-(4'-hydroxy-biphenyl-4-yl)-qu...)Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H14FNO4/c23-15-7-10-18-17(11-15)19(22(27)28)21(26)20(24-18)14-3-1-12(2-4-14)13-5-8-16(25)9-6-13/h1-11,25-26H,(H,27,28) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357327
(CHEMBL1916885)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(Cl)cc3C)c3cncn3c2c1 Show InChI InChI=1S/C24H25ClN6O/c1-16-12-17(25)7-9-19(16)27-24-22-14-26-15-31(22)21-13-18(8-10-20(21)28-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+ | 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 | 7.56 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM23498
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc... |
J Pharmacol Exp Ther 309: 348-55 (2004)
Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357340
(CHEMBL1916898)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1ccc(F)cc1C)c1cncn21 Show InChI InChI=1S/C24H24ClFN6O/c1-15-10-16(26)7-8-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+ | 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 | 9.53 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357343
(CHEMBL1916901)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Oc1ccc(F)cc1C)c1cncn21 Show InChI InChI=1S/C24H23F2N5O2/c1-15-10-16(25)7-8-22(15)33-24-21-13-27-14-31(21)20-12-19(17(26)11-18(20)28-24)30(4)23(32)6-5-9-29(2)3/h5-8,10-14H,9H2,1-4H3/b6-5+ | 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 | 9.53 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Cytosolic phospholipase A2
(Homo sapiens (Human)) | BDBM50292792
(4-(3-{5-Chloro-1-(diphenylmethyl)-2-[2-({[2-(morph...)Show SMILES OC(=O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccccc3CN3CCOCC3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C45H46ClN3O5S/c46-39-22-23-42-41(30-39)40(17-9-10-33-18-20-36(21-19-33)45(50)51)43(49(42)44(34-11-3-1-4-12-34)35-13-5-2-6-14-35)24-25-47-55(52,53)32-38-16-8-7-15-37(38)31-48-26-28-54-29-27-48/h1-8,11-16,18-23,30,44,47H,9-10,17,24-29,31-32H2,(H,50,51) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic PLA2alpha by GLU micelle assay |
J Med Chem 52: 1156-71 (2009)
Article DOI: 10.1021/jm8009876 BindingDB Entry DOI: 10.7270/Q20C4VSK |
More data for this Ligand-Target Pair | |
Cytosolic phospholipase A2
(Homo sapiens (Human)) | BDBM50226793
(4-(3-(1-benzhydryl-5-chloro-2-(2-((2,6-dimethylphe...)Show SMILES Cc1cccc(C)c1CS(=O)(=O)NCCc1c(CCCc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C42H41ClN2O4S/c1-29-11-9-12-30(2)38(29)28-50(48,49)44-26-25-40-36(18-10-13-31-19-21-34(22-20-31)42(46)47)37-27-35(43)23-24-39(37)45(40)41(32-14-5-3-6-15-32)33-16-7-4-8-17-33/h3-9,11-12,14-17,19-24,27,41,44H,10,13,18,25-26,28H2,1-2H3,(H,46,47) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic PLA2alpha by GLU micelle assay |
J Med Chem 52: 1156-71 (2009)
Article DOI: 10.1021/jm8009876 BindingDB Entry DOI: 10.7270/Q20C4VSK |
More data for this Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201949
(2-biphenyl-4-yl-3-hydroxy-quinoline-4-carboxylic a...)Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H15NO3/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,24H,(H,25,26) | PDB MMDB
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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256 BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357325
(CHEMBL1916883)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1 Show InChI InChI=1S/C24H25ClN6O/c1-16-7-5-8-18(25)23(16)28-24-21-14-26-15-31(21)20-13-17(10-11-19(20)27-24)30(4)22(32)9-6-12-29(2)3/h5-11,13-15H,12H2,1-4H3,(H,27,28)/b9-6+ | 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 | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357329
(CHEMBL1916887)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3O)c3cncn3c2c1 Show InChI InChI=1S/C24H26N6O2/c1-16-7-5-8-21(31)23(16)27-24-20-14-25-15-30(20)19-13-17(10-11-18(19)26-24)29(4)22(32)9-6-12-28(2)3/h5-11,13-15,31H,12H2,1-4H3,(H,26,27)/b9-6+ | 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 | 10.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50357330
(CHEMBL1916888)Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(O)ccc3C)c3cncn3c2c1 Show InChI InChI=1S/C24H26N6O2/c1-16-7-9-18(31)13-20(16)27-24-22-14-25-15-30(22)21-12-17(8-10-19(21)26-24)29(4)23(32)6-5-11-28(2)3/h5-10,12-15,31H,11H2,1-4H3,(H,26,27)/b6-5+ | 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 | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50357316
(CHEMBL1916715)Show SMILES COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H26N6O2/c1-16-8-5-6-9-17(16)27-24-21-14-25-15-30(21)20-12-19(22(32-4)13-18(20)28-24)26-23(31)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,26,31)(H,27,28)/b10-7+ | 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 | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay |
Bioorg Med Chem Lett 21: 6258-63 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD |
More data for this Ligand-Target Pair | |