Found 61 hits with Last Name = 'sanz' and Initial = 'lm' 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 |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50113463
(CHEMBL537586)Show SMILES CC(C)N(C)C(=O)n1cnc(n1)S(=O)(=O)C1CC2CCC1C2 Show InChI InChI=1S/C14H22N4O3S/c1-9(2)17(3)14(19)18-8-15-13(16-18)22(20,21)12-7-10-4-5-11(12)6-10/h8-12H,4-7H2,1-3H3 | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of DPP4 (unknown origin) |
J Med Chem 58: 6448-55 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00434 BindingDB Entry DOI: 10.7270/Q2N018BP |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50020412
(CHEMBL3289811)Show SMILES Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25) | 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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50090915
(CHEMBL3581787)Show InChI InChI=1S/C17H16Cl2N4O/c18-12-8-11(9-13(19)10-12)16(24)20-6-3-7-21-17-22-14-4-1-2-5-15(14)23-17/h1-2,4-5,8-10H,3,6-7H2,(H,20,24)(H2,21,22,23) | 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 | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Helsinki
Curated by ChEMBL
| Assay Description Inhibition of human ERG by IonWorks electrophysiology |
J Med Chem 58: 4573-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00114 BindingDB Entry DOI: 10.7270/Q2J96842 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50020412
(CHEMBL3289811)Show SMILES Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25) | 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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50020404
(CHEMBL3289803)Show SMILES Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020413
(CHEMBL3289807)Show SMILES Nc1nc2ccc(NCC(F)(F)F)nc2n1CC(O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H14Cl2F3N5O/c17-8-1-2-9(10(18)5-8)12(27)6-26-14-11(24-15(26)22)3-4-13(25-14)23-7-16(19,20)21/h1-5,12,27H,6-7H2,(H2,22,24)(H,23,25) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50099957
(CHEMBL3321871)Show InChI InChI=1S/C17H19BrN6/c1-23-6-8-24(9-7-23)13-3-4-14-15(10-13)21-17(20-14)22-16-5-2-12(18)11-19-16/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 6642-52 (2014)
Article DOI: 10.1021/jm500715u BindingDB Entry DOI: 10.7270/Q2377BG1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50100083
(CHEMBL3321972)Show SMILES CN1CCC(CC1)c1ccc2nc(Nc3ccc(cn3)C(F)(F)F)[nH]c2c1 Show InChI InChI=1S/C19H20F3N5/c1-27-8-6-12(7-9-27)13-2-4-15-16(10-13)25-18(24-15)26-17-5-3-14(11-23-17)19(20,21)22/h2-5,10-12H,6-9H2,1H3,(H2,23,24,25,26) | 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 | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 6642-52 (2014)
Article DOI: 10.1021/jm500715u BindingDB Entry DOI: 10.7270/Q2377BG1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020414
(CHEMBL3289797)Show InChI InChI=1S/C14H15Cl2N3O/c15-9-3-4-10(11(16)5-9)13(20)7-19-6-12(8-1-2-8)18-14(19)17/h3-6,8,13,20H,1-2,7H2,(H2,17,18) | 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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50020411
(CHEMBL3289813)Show SMILES CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F Show InChI InChI=1S/C18H15ClF6N4O2/c1-8(17(20,21)22)31-14-5-4-12-15(28-14)29(16(26)27-12)7-13(30)10-3-2-9(6-11(10)19)18(23,24)25/h2-6,8,13,30H,7H2,1H3,(H2,26,27) | 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 | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50020415
(CHEMBL3289806)Show SMILES CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22ClF3N6O/c1-28-6-8-29(9-7-28)17-5-4-15-18(27-17)30(19(25)26-15)11-16(31)13-3-2-12(10-14(13)21)20(22,23)24/h2-5,10,16,31H,6-9,11H2,1H3,(H2,25,26) | 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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50020408
(CHEMBL3289805)Show InChI InChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19) | 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 | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50100015
(CHEMBL3321968)Show SMILES CN1CCN(CC1)c1cc(Cl)c2nc(Nc3ccc(Br)cn3)[nH]c2c1 Show InChI InChI=1S/C17H18BrClN6/c1-24-4-6-25(7-5-24)12-8-13(19)16-14(9-12)21-17(23-16)22-15-3-2-11(18)10-20-15/h2-3,8-10H,4-7H2,1H3,(H2,20,21,22,23) | 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 | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 6642-52 (2014)
Article DOI: 10.1021/jm500715u BindingDB Entry DOI: 10.7270/Q2377BG1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50100085
(CHEMBL3321980)Show SMILES CN1CCN(CC1)c1cc2[nH]c(Nc3cc(C4CC4)c(F)c(C)n3)nc2cn1 Show InChI InChI=1S/C20H24FN7/c1-12-19(21)14(13-3-4-13)9-17(23-12)26-20-24-15-10-18(22-11-16(15)25-20)28-7-5-27(2)6-8-28/h9-11,13H,3-8H2,1-2H3,(H2,23,24,25,26) | 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 | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 6642-52 (2014)
Article DOI: 10.1021/jm500715u BindingDB Entry DOI: 10.7270/Q2377BG1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50020408
(CHEMBL3289805)Show InChI InChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19) | 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 | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020416
(CHEMBL3289799)Show InChI InChI=1S/C15H13Cl2N3O/c16-9-5-6-10(11(17)7-9)14(21)8-20-13-4-2-1-3-12(13)19-15(20)18/h1-7,14,21H,8H2,(H2,18,19) | 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 | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020404
(CHEMBL3289803)Show SMILES Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020415
(CHEMBL3289806)Show SMILES CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22ClF3N6O/c1-28-6-8-29(9-7-28)17-5-4-15-18(27-17)30(19(25)26-15)11-16(31)13-3-2-12(10-14(13)21)20(22,23)24/h2-5,10,16,31H,6-9,11H2,1H3,(H2,25,26) | 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 | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50020412
(CHEMBL3289811)Show SMILES Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50099958
(CHEMBL3321873)Show InChI InChI=1S/C18H22N6/c1-13-3-6-17(19-12-13)22-18-20-15-5-4-14(11-16(15)21-18)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3,(H2,19,20,21,22) | 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 | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 6642-52 (2014)
Article DOI: 10.1021/jm500715u BindingDB Entry DOI: 10.7270/Q2377BG1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50020415
(CHEMBL3289806)Show SMILES CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22ClF3N6O/c1-28-6-8-29(9-7-28)17-5-4-15-18(27-17)30(19(25)26-15)11-16(31)13-3-2-12(10-14(13)21)20(22,23)24/h2-5,10,16,31H,6-9,11H2,1H3,(H2,25,26) | 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 | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50090916
(CHEMBL3402044)Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H13Cl2N3O/c21-14-8-13(9-15(22)11-14)20(26)23-16-5-3-4-12(10-16)19-24-17-6-1-2-7-18(17)25-19/h1-11H,(H,23,26)(H,24,25) | PDB MMDB
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 | >1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Helsinki
Curated by ChEMBL
| Assay Description Inhibition of human ERG by IonWorks electrophysiology |
J Med Chem 58: 4573-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00114 BindingDB Entry DOI: 10.7270/Q2J96842 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020412
(CHEMBL3289811)Show SMILES Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25) | 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 | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50020411
(CHEMBL3289813)Show SMILES CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F Show InChI InChI=1S/C18H15ClF6N4O2/c1-8(17(20,21)22)31-14-5-4-12-15(28-14)29(16(26)27-12)7-13(30)10-3-2-9(6-11(10)19)18(23,24)25/h2-6,8,13,30H,7H2,1H3,(H2,26,27) | 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 | 2.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50100084
(CHEMBL3321963)Show SMILES CN1CCN(Cc2ccc3nc(Nc4ccc(cn4)C(F)(F)F)[nH]c3c2)CC1 Show InChI InChI=1S/C19H21F3N6/c1-27-6-8-28(9-7-27)12-13-2-4-15-16(10-13)25-18(24-15)26-17-5-3-14(11-23-17)19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H2,23,24,25,26) | 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 | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 6642-52 (2014)
Article DOI: 10.1021/jm500715u BindingDB Entry DOI: 10.7270/Q2377BG1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020417
(CHEMBL3289794)Show InChI InChI=1S/C11H11Cl2N3O/c12-8-3-1-2-7(10(8)13)9(17)6-16-5-4-15-11(16)14/h1-5,9,17H,6H2,(H2,14,15) | 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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50090914
(CHEMBL3581788)Show SMILES FC(F)(F)c1cc(ccn1)C(=O)NCCCNc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16F3N5O/c18-17(19,20)14-10-11(6-9-21-14)15(26)22-7-3-8-23-16-24-12-4-1-2-5-13(12)25-16/h1-2,4-6,9-10H,3,7-8H2,(H,22,26)(H2,23,24,25) | 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 | 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Helsinki
Curated by ChEMBL
| Assay Description Inhibition of human ERG by IonWorks electrophysiology |
J Med Chem 58: 4573-80 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00114 BindingDB Entry DOI: 10.7270/Q2J96842 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50020411
(CHEMBL3289813)Show SMILES CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F Show InChI InChI=1S/C18H15ClF6N4O2/c1-8(17(20,21)22)31-14-5-4-12-15(28-14)29(16(26)27-12)7-13(30)10-3-2-9(6-11(10)19)18(23,24)25/h2-6,8,13,30H,7H2,1H3,(H2,26,27) | 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 | 2.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020418
(CHEMBL3289798)Show SMILES Nc1nc(cn1CC(O)c1ccc(cc1Cl)C(F)(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C18H14ClF4N3O/c19-14-7-11(18(21,22)23)3-6-13(14)16(27)9-26-8-15(25-17(26)24)10-1-4-12(20)5-2-10/h1-8,16,27H,9H2,(H2,24,25) | 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 | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50020404
(CHEMBL3289803)Show SMILES Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50020404
(CHEMBL3289803)Show SMILES Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50020415
(CHEMBL3289806)Show SMILES CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22ClF3N6O/c1-28-6-8-29(9-7-28)17-5-4-15-18(27-17)30(19(25)26-15)11-16(31)13-3-2-12(10-14(13)21)20(22,23)24/h2-5,10,16,31H,6-9,11H2,1H3,(H2,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50020411
(CHEMBL3289813)Show SMILES CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F Show InChI InChI=1S/C18H15ClF6N4O2/c1-8(17(20,21)22)31-14-5-4-12-15(28-14)29(16(26)27-12)7-13(30)10-3-2-9(6-11(10)19)18(23,24)25/h2-6,8,13,30H,7H2,1H3,(H2,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50020404
(CHEMBL3289803)Show SMILES Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50020411
(CHEMBL3289813)Show SMILES CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F Show InChI InChI=1S/C18H15ClF6N4O2/c1-8(17(20,21)22)31-14-5-4-12-15(28-14)29(16(26)27-12)7-13(30)10-3-2-9(6-11(10)19)18(23,24)25/h2-6,8,13,30H,7H2,1H3,(H2,26,27) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50020404
(CHEMBL3289803)Show SMILES Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50573976
(CHEMBL4874145)Show SMILES CCc1cccc(CNC(=O)c2nc3cccc(COCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human ERG by QPatch automated patch clamp system |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00441 BindingDB Entry DOI: 10.7270/Q2PZ5DMD |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50020412
(CHEMBL3289811)Show SMILES Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50020415
(CHEMBL3289806)Show SMILES CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22ClF3N6O/c1-28-6-8-29(9-7-28)17-5-4-15-18(27-17)30(19(25)26-15)11-16(31)13-3-2-12(10-14(13)21)20(22,23)24/h2-5,10,16,31H,6-9,11H2,1H3,(H2,25,26) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50020412
(CHEMBL3289811)Show SMILES Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50020415
(CHEMBL3289806)Show SMILES CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H22ClF3N6O/c1-28-6-8-29(9-7-28)17-5-4-15-18(27-17)30(19(25)26-15)11-16(31)13-3-2-12(10-14(13)21)20(22,23)24/h2-5,10,16,31H,6-9,11H2,1H3,(H2,25,26) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50020408
(CHEMBL3289805)Show InChI InChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50020408
(CHEMBL3289805)Show InChI InChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50020408
(CHEMBL3289805)Show InChI InChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020420
(CHEMBL3289796)Show InChI InChI=1S/C13H15Cl2N3O/c1-7-8(2)18(13(16)17-7)6-12(19)10-4-3-9(14)5-11(10)15/h3-5,12,19H,6H2,1-2H3,(H2,16,17) | 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 | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020419
(CHEMBL3289795)Show InChI InChI=1S/C12H13Cl2N3O/c1-7-5-17(12(15)16-7)6-11(18)9-3-2-8(13)4-10(9)14/h2-5,11,18H,6H2,1H3,(H2,15,16) | 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 | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020411
(CHEMBL3289813)Show SMILES CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F Show InChI InChI=1S/C18H15ClF6N4O2/c1-8(17(20,21)22)31-14-5-4-12-15(28-14)29(16(26)27-12)7-13(30)10-3-2-9(6-11(10)19)18(23,24)25/h2-6,8,13,30H,7H2,1H3,(H2,26,27) | 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 | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020410
(CHEMBL3289812)Show SMILES Nc1nc2ccc(OC3CNC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C18H17ClF3N5O2/c19-12-5-9(18(20,21)22)1-2-11(12)14(28)8-27-16-13(25-17(27)23)3-4-15(26-16)29-10-6-24-7-10/h1-5,10,14,24,28H,6-8H2,(H2,23,25) | 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 | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020409
(CHEMBL3289810)Show SMILES Nc1nc2ccc(OCC(F)(F)F)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C17H13ClF6N4O2/c18-10-5-8(17(22,23)24)1-2-9(10)12(29)6-28-14-11(26-15(28)25)3-4-13(27-14)30-7-16(19,20)21/h1-5,12,29H,6-7H2,(H2,25,26) | 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 | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50020408
(CHEMBL3289805)Show InChI InChI=1S/C14H12Cl2N4O/c15-9-4-1-3-8(12(9)16)11(21)7-20-13-10(19-14(20)17)5-2-6-18-13/h1-6,11,21H,7H2,(H2,17,19) | 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 | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 57: 5702-13 (2014)
Article DOI: 10.1021/jm500535j BindingDB Entry DOI: 10.7270/Q2X3501C |
More data for this Ligand-Target Pair | |