Found 15 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 |
|---|
Androgen receptor
(Homo sapiens (Human)) | BDBM50379780
(CHEMBL2011371)Show SMILES FC(F)(F)c1cc(ccc1C#N)-n1c2ncccc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C21H13F3N4O/c22-21(23,24)17-11-16(9-8-15(17)12-25)28-19-18(7-4-10-26-19)27(20(28)29)13-14-5-2-1-3-6-14/h1-11H,13H2 | 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 | 60.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379772
(CHEMBL2011381)Show SMILES COc1cc(ccc1C#N)N1C(=O)C(C)(C)c2cc(ccc12)-c1cccnc1OC Show InChI InChI=1S/C24H21N3O3/c1-24(2)19-12-15(18-6-5-11-26-22(18)30-4)8-10-20(19)27(23(24)28)17-9-7-16(14-25)21(13-17)29-3/h5-13H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379771
(CHEMBL2011377)Show SMILES Clc1cc(ccc1C#N)-n1c2ccccc2n(Cc2nc(no2)-c2ccccn2)c1=O Show InChI InChI=1S/C22H13ClN6O2/c23-16-11-15(9-8-14(16)12-24)29-19-7-2-1-6-18(19)28(22(29)30)13-20-26-21(27-31-20)17-5-3-4-10-25-17/h1-11H,13H2 | 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 | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379773
(CHEMBL2011380)Show SMILES CNC(=O)c1ccc(cc1F)-c1ccc2N(C(=O)C(C)(C)c2c1)c1ccc(C#N)c(OC)c1 Show InChI InChI=1S/C26H22FN3O3/c1-26(2)20-11-15(16-6-9-19(21(27)12-16)24(31)29-3)7-10-22(20)30(25(26)32)18-8-5-17(14-28)23(13-18)33-4/h5-13H,1-4H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379783
(CHEMBL2011362)Show SMILES FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C22H14F3N3O/c23-22(24,25)18-12-17(11-10-16(18)13-26)28-20-9-5-4-8-19(20)27(21(28)29)14-15-6-2-1-3-7-15/h1-12H,14H2 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379775
(CHEMBL2011378)Show SMILES CC(c1nc(no1)-c1ccccn1)n1c2ccccc2n(-c2ccc(C#N)c(Cl)c2)c1=O Show InChI InChI=1S/C23H15ClN6O2/c1-14(22-27-21(28-32-22)18-6-4-5-11-26-18)29-19-7-2-3-8-20(19)30(23(29)31)16-10-9-15(13-25)17(24)12-16/h2-12,14H,1H3 | 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 | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379775
(CHEMBL2011378)Show SMILES CC(c1nc(no1)-c1ccccn1)n1c2ccccc2n(-c2ccc(C#N)c(Cl)c2)c1=O Show InChI InChI=1S/C23H15ClN6O2/c1-14(22-27-21(28-32-22)18-6-4-5-11-26-18)29-19-7-2-3-8-20(19)30(23(29)31)16-10-9-15(13-25)17(24)12-16/h2-12,14H,1H3 | 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 | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379774
(CHEMBL2011379)Show SMILES CNC(=O)c1ccc(cc1F)-c1ccc2N(C(=O)C(C)(C)c2c1)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C26H19F4N3O2/c1-25(2)20-10-14(15-5-8-18(21(27)11-15)23(34)32-3)6-9-22(20)33(24(25)35)17-7-4-16(13-31)19(12-17)26(28,29)30/h4-12H,1-3H3,(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379776
(CHEMBL2011376)Show SMILES CC(c1ccccc1)n1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O Show InChI InChI=1S/C23H16F3N3O/c1-15(16-7-3-2-4-8-16)28-20-9-5-6-10-21(20)29(22(28)30)18-12-11-17(14-27)19(13-18)23(24,25)26/h2-13,15H,1H3 | 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 | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379776
(CHEMBL2011376)Show SMILES CC(c1ccccc1)n1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O Show InChI InChI=1S/C23H16F3N3O/c1-15(16-7-3-2-4-8-16)28-20-9-5-6-10-21(20)29(22(28)30)18-12-11-17(14-27)19(13-18)23(24,25)26/h2-13,15H,1H3 | 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 | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379781
(CHEMBL2011369)Show SMILES CCn1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O Show InChI InChI=1S/C17H12F3N3O/c1-2-22-14-5-3-4-6-15(14)23(16(22)24)12-8-7-11(10-21)13(9-12)17(18,19)20/h3-9H,2H2,1H3 | 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 | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379778
(CHEMBL2011373)Show SMILES FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2ccccn2)c1=O Show InChI InChI=1S/C21H13F3N4O/c22-21(23,24)17-11-16(9-8-14(17)12-25)28-19-7-2-1-6-18(19)27(20(28)29)13-15-5-3-4-10-26-15/h1-11H,13H2 | 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 | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379782
(CHEMBL2011367)Show SMILES CC(C)n1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O Show InChI InChI=1S/C18H14F3N3O/c1-11(2)23-15-5-3-4-6-16(15)24(17(23)25)13-8-7-12(10-22)14(9-13)18(19,20)21/h3-9,11H,1-2H3 | 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 | 373 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379777
(CHEMBL2011374)Show SMILES FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2cccnc2)c1=O Show InChI InChI=1S/C21H13F3N4O/c22-21(23,24)17-10-16(8-7-15(17)11-25)28-19-6-2-1-5-18(19)27(20(28)29)13-14-4-3-9-26-12-14/h1-10,12H,13H2 | 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 | 389 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50379779
(CHEMBL2011372)Show SMILES FC(F)(F)c1cc(ccc1C#N)-n1c2cccnc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C21H13F3N4O/c22-21(23,24)17-11-16(9-8-15(17)12-25)28-18-7-4-10-26-19(18)27(20(28)29)13-14-5-2-1-3-6-14/h1-11H,13H2 | 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 | 588 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881 |
Bioorg Med Chem Lett 22: 2572-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.116
BindingDB Entry DOI: 10.7270/Q2XP75Z5 |
More data for this
Ligand-Target Pair | |
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