Found 35 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 |
|---|
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415020
(CHEMBL570708)Show SMILES Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS/c1-8-11(7-21)17(20)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415018
(CHEMBL569353)Show SMILES Cc1c(C#N)c(N)nc2c3[C@H](CC(=O)Nc3sc12)c1ccccc1Cl |r| Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24)/t10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415020
(CHEMBL570708)Show SMILES Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS/c1-8-11(7-21)17(20)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415011
(CHEMBL578413)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
KEGG
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DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415018
(CHEMBL569353)Show SMILES Cc1c(C#N)c(N)nc2c3[C@H](CC(=O)Nc3sc12)c1ccccc1Cl |r| Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24)/t10-/m1/s1 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415011
(CHEMBL578413)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
KEGG
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DrugBank
antibodypedia
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| Purchase
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415010
(CHEMBL577997)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1F Show InChI InChI=1S/C18H13FN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
KEGG
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415010
(CHEMBL577997)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1F Show InChI InChI=1S/C18H13FN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415017
(CHEMBL568893)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1c(F)cccc1Cl Show InChI InChI=1S/C18H12ClFN4OS/c1-7-9(6-21)17(22)24-15-14-8(13-10(19)3-2-4-11(13)20)5-12(25)23-18(14)26-16(7)15/h2-4,8H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415014
(CHEMBL583053)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H12Cl2N4OS/c1-7-10(6-21)17(22)24-15-13-9(8-3-2-4-11(19)14(8)20)5-12(25)23-18(13)26-16(7)15/h2-4,9H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415015
(CHEMBL571605)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H12Cl2N4OS/c1-7-11(6-21)17(22)24-15-14-10(9-3-2-8(19)4-12(9)20)5-13(25)23-18(14)26-16(7)15/h2-4,10H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415016
(CHEMBL570916)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C18H12Cl2N4OS/c1-7-11(6-21)17(22)24-15-14-10(9-4-8(19)2-3-12(9)20)5-13(25)23-18(14)26-16(7)15/h2-4,10H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50415011
(CHEMBL578413)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415017
(CHEMBL568893)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1c(F)cccc1Cl Show InChI InChI=1S/C18H12ClFN4OS/c1-7-9(6-21)17(22)24-15-14-8(13-10(19)3-2-4-11(13)20)5-12(25)23-18(14)26-16(7)15/h2-4,8H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
KEGG
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415023
(CHEMBL572014)Show SMILES Cc1ccccc1C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12 Show InChI InChI=1S/C19H16N4OS/c1-9-5-3-4-6-11(9)12-7-14(24)22-19-15(12)16-17(25-19)10(2)13(8-20)18(21)23-16/h3-6,12H,7H2,1-2H3,(H2,21,23)(H,22,24) | PDB
KEGG
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415020
(CHEMBL570708)Show SMILES Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS/c1-8-11(7-21)17(20)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,22,24) | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415019
(CHEMBL569354)Show SMILES Cc1c(C#N)c(N)nc2c3[C@@H](CC(=O)Nc3sc12)c1ccccc1Cl |r| Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24)/t10-/m0/s1 | PDB
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50415011
(CHEMBL578413)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415012
(CHEMBL576296)Show SMILES COc1ccccc1C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12 Show InChI InChI=1S/C19H16N4O2S/c1-9-12(8-20)18(21)23-16-15-11(10-5-3-4-6-13(10)25-2)7-14(24)22-19(15)26-17(9)16/h3-6,11H,7H2,1-2H3,(H2,21,23)(H,22,24) | PDB
KEGG
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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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50415011
(CHEMBL578413)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50415011
(CHEMBL578413)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415021
(CHEMBL572240)Show SMILES Cc1c(C#N)c(=O)[nH]c2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H12ClN3O2S/c1-8-11(7-20)17(24)22-15-14-10(9-4-2-3-5-12(9)19)6-13(23)21-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,21,23)(H,22,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415013
(CHEMBL572239)Show SMILES COc1cccc(c1)C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12 Show InChI InChI=1S/C19H16N4O2S/c1-9-13(8-20)18(21)23-16-15-12(10-4-3-5-11(6-10)25-2)7-14(24)22-19(15)26-17(9)16/h3-6,12H,7H2,1-2H3,(H2,21,23)(H,22,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of fluormone PL RED from progesterone receptor after 2 hrs |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50415011
(CHEMBL578413)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415011
(CHEMBL578413)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24) | PDB
MMDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415015
(CHEMBL571605)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H12Cl2N4OS/c1-7-11(6-21)17(22)24-15-14-10(9-3-2-8(19)4-12(9)20)5-13(25)23-18(14)26-16(7)15/h2-4,10H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415021
(CHEMBL572240)Show SMILES Cc1c(C#N)c(=O)[nH]c2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H12ClN3O2S/c1-8-11(7-20)17(24)22-15-14-10(9-4-2-3-5-12(9)19)6-13(23)21-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,21,23)(H,22,24) | PDB
MMDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415018
(CHEMBL569353)Show SMILES Cc1c(C#N)c(N)nc2c3[C@H](CC(=O)Nc3sc12)c1ccccc1Cl |r| Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24)/t10-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415017
(CHEMBL568893)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1c(F)cccc1Cl Show InChI InChI=1S/C18H12ClFN4OS/c1-7-9(6-21)17(22)24-15-14-8(13-10(19)3-2-4-11(13)20)5-12(25)23-18(14)26-16(7)15/h2-4,8H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415019
(CHEMBL569354)Show SMILES Cc1c(C#N)c(N)nc2c3[C@@H](CC(=O)Nc3sc12)c1ccccc1Cl |r| Show InChI InChI=1S/C18H13ClN4OS/c1-8-11(7-20)17(21)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H2,21,23)(H,22,24)/t10-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415023
(CHEMBL572014)Show SMILES Cc1ccccc1C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12 Show InChI InChI=1S/C19H16N4OS/c1-9-5-3-4-6-11(9)12-7-14(24)22-19-15(12)16-17(25-19)10(2)13(8-20)18(21)23-16/h3-6,12H,7H2,1-2H3,(H2,21,23)(H,22,24) | PDB
MMDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415022
(CHEMBL578177)Show InChI InChI=1S/C18H14N4OS/c1-9-12(8-19)17(20)22-15-14-11(10-5-3-2-4-6-10)7-13(23)21-18(14)24-16(9)15/h2-6,11H,7H2,1H3,(H2,20,22)(H,21,23) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415014
(CHEMBL583053)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cccc(Cl)c1Cl Show InChI InChI=1S/C18H12Cl2N4OS/c1-7-10(6-21)17(22)24-15-13-9(8-3-2-4-11(19)14(8)20)5-12(25)23-18(13)26-16(7)15/h2-4,9H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
MMDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415016
(CHEMBL570916)Show SMILES Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C18H12Cl2N4OS/c1-7-11(6-21)17(22)24-15-14-10(9-4-8(19)2-3-12(9)20)5-13(25)23-18(14)26-16(7)15/h2-4,10H,5H2,1H3,(H2,22,24)(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to androgen receptor |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50415020
(CHEMBL570708)Show SMILES Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS/c1-8-11(7-21)17(20)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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UniChem
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at androgen receptor expressed in CV-1 cells by MMTV luciferase reporter assay |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
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