Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50034686 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)) | BDBM50366207
(CHEMBL1957612)Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)24(23-12)17-8-5-15(11-22)19(20)10-17/h3-8,10H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366208
(CHEMBL1957613)Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F4N3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)27(26-12)17-8-5-15(11-25)19(10-17)20(22,23)24/h3-8,10H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366216
(CHEMBL1957621)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(N)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-3-5-15(6-4-14)20(23)26)13(2)25(24-12)17-8-7-16(11-22)19(21)10-17/h3-8,10H,9H2,1-2H3,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366213
(CHEMBL1957618)Show SMILES Cc1nn(c(C)c1C(O)c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN3O/c1-11-18(19(25)13-3-6-15(21)7-4-13)12(2)24(23-11)16-8-5-14(10-22)17(20)9-16/h3-9,19,25H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366217
(CHEMBL1957622)Show SMILES CNC(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1 Show InChI InChI=1S/C21H19ClN4O/c1-13-19(10-15-4-6-16(7-5-15)21(27)24-3)14(2)26(25-13)18-9-8-17(12-23)20(22)11-18/h4-9,11H,10H2,1-3H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366213
(CHEMBL1957618)Show SMILES Cc1nn(c(C)c1C(O)c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN3O/c1-11-18(19(25)13-3-6-15(21)7-4-13)12(2)24(23-11)16-8-5-14(10-22)17(20)9-16/h3-9,19,25H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366212
(CHEMBL1957617)Show SMILES Cc1nn(c(C)c1CCc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClFN3/c1-13-19(10-5-15-3-7-17(22)8-4-15)14(2)25(24-13)18-9-6-16(12-23)20(21)11-18/h3-4,6-9,11H,5,10H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18525
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366207
(CHEMBL1957612)Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)24(23-12)17-8-5-15(11-22)19(20)10-17/h3-8,10H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366206
(CHEMBL1957611)Show InChI InChI=1S/C19H16FN3/c1-13-19(11-15-3-7-17(20)8-4-15)14(2)23(22-13)18-9-5-16(12-21)6-10-18/h3-10H,11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366210
(CHEMBL1957615)Show SMILES Cc1nn(c(C)c1Oc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C18H13ClFN3O/c1-11-18(24-16-7-4-14(20)5-8-16)12(2)23(22-11)15-6-3-13(10-21)17(19)9-15/h3-9H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366219
(CHEMBL1957607)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NC(C)(C)C)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H25ClN4O/c1-15-21(12-17-6-8-18(9-7-17)23(30)27-24(3,4)5)16(2)29(28-15)20-11-10-19(14-26)22(25)13-20/h6-11,13H,12H2,1-5H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366208
(CHEMBL1957613)Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F4N3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)27(26-12)17-8-5-15(11-25)19(10-17)20(22,23)24/h3-8,10H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366220
(CHEMBL1957722)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCCO)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C22H21ClN4O2/c1-14-20(11-16-3-5-17(6-4-16)22(29)25-9-10-28)15(2)27(26-14)19-8-7-18(13-24)21(23)12-19/h3-8,12,28H,9-11H2,1-2H3,(H,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366211
(CHEMBL1957616)Show SMILES Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C18H13ClFN3/c1-11-18(13-3-6-15(20)7-4-13)12(2)23(22-11)16-8-5-14(10-21)17(19)9-16/h3-9H,1-2H3 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366215
(CHEMBL1957620)Show SMILES Cc1nn(c(C)c1Cc1cccc(c1)C(N)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-4-3-5-15(8-14)20(23)26)13(2)25(24-12)17-7-6-16(11-22)19(21)10-17/h3-8,10H,9H2,1-2H3,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18525
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366221
(CHEMBL1957608)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-21(16(2)29(28-15)20-10-9-19(13-26)22(25)12-20)11-17-5-7-18(8-6-17)23(30)27-14-24(3,4)31/h5-10,12,31H,11,14H2,1-4H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366216
(CHEMBL1957621)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(N)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-3-5-15(6-4-14)20(23)26)13(2)25(24-12)17-8-7-16(11-22)19(21)10-17/h3-8,10H,9H2,1-2H3,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366222
(CHEMBL1957609)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H23ClN4O2/c1-16-22(17(2)29(27-16)21-8-7-20(15-26)23(25)14-21)13-18-3-5-19(6-4-18)24(30)28-9-11-31-12-10-28/h3-8,14H,9-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366221
(CHEMBL1957608)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-21(16(2)29(28-15)20-10-9-19(13-26)22(25)12-20)11-17-5-7-18(8-6-17)23(30)27-14-24(3,4)31/h5-10,12,31H,11,14H2,1-4H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366210
(CHEMBL1957615)Show SMILES Cc1nn(c(C)c1Oc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C18H13ClFN3O/c1-11-18(24-16-7-4-14(20)5-8-16)12(2)23(22-11)15-6-3-13(10-21)17(19)9-15/h3-9H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366215
(CHEMBL1957620)Show SMILES Cc1nn(c(C)c1Cc1cccc(c1)C(N)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-4-3-5-15(8-14)20(23)26)13(2)25(24-12)17-7-6-16(11-22)19(21)10-17/h3-8,10H,9H2,1-2H3,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366206
(CHEMBL1957611)Show InChI InChI=1S/C19H16FN3/c1-13-19(11-15-3-7-17(20)8-4-15)14(2)23(22-13)18-9-5-16(12-21)6-10-18/h3-10H,11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366218
(CHEMBL1957721)Show SMILES CN(C)C(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1 Show InChI InChI=1S/C22H21ClN4O/c1-14-20(11-16-5-7-17(8-6-16)22(28)26(3)4)15(2)27(25-14)19-10-9-18(13-24)21(23)12-19/h5-10,12H,11H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366219
(CHEMBL1957607)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NC(C)(C)C)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H25ClN4O/c1-15-21(12-17-6-8-18(9-7-17)23(30)27-24(3,4)5)16(2)29(28-15)20-11-10-19(14-26)22(25)13-20/h6-11,13H,12H2,1-5H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366212
(CHEMBL1957617)Show SMILES Cc1nn(c(C)c1CCc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClFN3/c1-13-19(10-5-15-3-7-17(22)8-4-15)14(2)25(24-13)18-9-6-16(12-23)20(21)11-18/h3-4,6-9,11H,5,10H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366223
(CHEMBL1957610)Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C23H23ClN4O3/c1-14-21(15(2)28(27-14)18-8-5-17(12-25)20(24)11-18)31-19-9-6-16(7-10-19)22(29)26-13-23(3,4)30/h5-11,30H,13H2,1-4H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366227
(CHEMBL1957726)Show SMILES CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cn1 Show InChI InChI=1S/C19H16ClN5O2/c1-11-19(27-16-6-7-18(22-10-16)23-13(3)26)12(2)25(24-11)15-5-4-14(9-21)17(20)8-15/h4-8,10H,1-3H3,(H,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366224
(CHEMBL1957723)Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C23H21ClN4O3/c1-15-22(16(2)28(26-15)19-6-3-18(14-25)21(24)13-19)31-20-7-4-17(5-8-20)23(29)27-9-11-30-12-10-27/h3-8,13H,9-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366217
(CHEMBL1957622)Show SMILES CNC(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1 Show InChI InChI=1S/C21H19ClN4O/c1-13-19(10-15-4-6-16(7-5-15)21(27)24-3)14(2)26(25-13)18-9-8-17(12-23)20(22)11-18/h4-9,11H,10H2,1-3H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366209
(CHEMBL1957614)Show InChI InChI=1S/C19H15ClFN3/c1-12-17(9-14-3-6-16(21)7-4-14)13(2)24(23-12)19-8-5-15(11-22)10-18(19)20/h3-8,10H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366223
(CHEMBL1957610)Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C23H23ClN4O3/c1-14-21(15(2)28(27-14)18-8-5-17(12-25)20(24)11-18)31-19-9-6-16(7-10-19)22(29)26-13-23(3,4)30/h5-11,30H,13H2,1-4H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366222
(CHEMBL1957609)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C24H23ClN4O2/c1-16-22(17(2)29(27-16)21-8-7-20(15-26)23(25)14-21)13-18-3-5-19(6-4-18)24(30)28-9-11-31-12-10-28/h3-8,14H,9-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366220
(CHEMBL1957722)Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCCO)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C22H21ClN4O2/c1-14-20(11-16-3-5-17(6-4-16)22(29)25-9-10-28)15(2)27(26-14)19-8-7-18(13-24)21(23)12-19/h3-8,12,28H,9-11H2,1-2H3,(H,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366224
(CHEMBL1957723)Show SMILES Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C23H21ClN4O3/c1-15-22(16(2)28(26-15)19-6-3-18(14-25)21(24)13-19)31-20-7-4-17(5-8-20)23(29)27-9-11-30-12-10-27/h3-8,13H,9-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366218
(CHEMBL1957721)Show SMILES CN(C)C(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1 Show InChI InChI=1S/C22H21ClN4O/c1-14-20(11-16-5-7-17(8-6-16)22(28)26(3)4)15(2)27(25-14)19-10-9-18(13-24)21(23)12-19/h5-10,12H,11H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366226
(CHEMBL1957725)Show SMILES Cc1nn(c(C)c1Oc1ccc(NC(=O)C(C)(C)C)cn1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C22H22ClN5O2/c1-13-20(14(2)28(27-13)17-8-6-15(11-24)18(23)10-17)30-19-9-7-16(12-25-19)26-21(29)22(3,4)5/h6-10,12H,1-5H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366214
(CHEMBL1957619)Show SMILES Cc1nn(c(C)c1Cc1ccccc1C(N)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-5-3-4-6-17(14)20(23)26)13(2)25(24-12)16-8-7-15(11-22)19(21)10-16/h3-8,10H,9H2,1-2H3,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366226
(CHEMBL1957725)Show SMILES Cc1nn(c(C)c1Oc1ccc(NC(=O)C(C)(C)C)cn1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C22H22ClN5O2/c1-13-20(14(2)28(27-13)17-8-6-15(11-24)18(23)10-17)30-19-9-7-16(12-25-19)26-21(29)22(3,4)5/h6-10,12H,1-5H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366225
(CHEMBL1957724)Show SMILES CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)nc1 Show InChI InChI=1S/C19H16ClN5O2/c1-11-19(27-18-7-5-15(10-22-18)23-13(3)26)12(2)25(24-11)16-6-4-14(9-21)17(20)8-16/h4-8,10H,1-3H3,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366211
(CHEMBL1957616)Show SMILES Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C18H13ClFN3/c1-11-18(13-3-6-15(20)7-4-13)12(2)23(22-11)16-8-5-14(10-21)17(19)9-16/h3-9H,1-2H3 | 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 | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366227
(CHEMBL1957726)Show SMILES CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cn1 Show InChI InChI=1S/C19H16ClN5O2/c1-11-19(27-16-6-7-18(22-10-16)23-13(3)26)12(2)25(24-11)15-5-4-14(9-21)17(20)8-15/h4-8,10H,1-3H3,(H,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366214
(CHEMBL1957619)Show SMILES Cc1nn(c(C)c1Cc1ccccc1C(N)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-5-3-4-6-17(14)20(23)26)13(2)25(24-12)16-8-7-15(11-22)19(21)10-16/h3-8,10H,9H2,1-2H3,(H2,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366209
(CHEMBL1957614)Show InChI InChI=1S/C19H15ClFN3/c1-12-17(9-14-3-6-16(21)7-4-14)13(2)24(23-12)19-8-5-15(11-22)10-18(19)20/h3-8,10H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366225
(CHEMBL1957724)Show SMILES CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)nc1 Show InChI InChI=1S/C19H16ClN5O2/c1-11-19(27-18-7-5-15(10-22-18)23-13(3)26)12(2)25(24-11)16-6-4-14(9-21)17(20)8-16/h4-8,10H,1-3H3,(H,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 h... |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366206
(CHEMBL1957611)Show InChI InChI=1S/C19H16FN3/c1-13-19(11-15-3-7-17(20)8-4-15)14(2)23(22-13)18-9-5-16(12-21)6-10-18/h3-10H,11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at androgen receptor expressed in Cos7 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366227
(CHEMBL1957726)Show SMILES CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cn1 Show InChI InChI=1S/C19H16ClN5O2/c1-11-19(27-16-6-7-18(22-10-16)23-13(3)26)12(2)25(24-11)15-5-4-14(9-21)17(20)8-15/h4-8,10H,1-3H3,(H,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at androgen receptor expressed in Cos7 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366208
(CHEMBL1957613)Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F4N3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)27(26-12)17-8-5-15(11-25)19(10-17)20(22,23)24/h3-8,10H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at androgen receptor expressed in Cos7 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50366209
(CHEMBL1957614)Show InChI InChI=1S/C19H15ClFN3/c1-12-17(9-14-3-6-16(21)7-4-14)13(2)24(23-12)19-8-5-15(11-22)10-18(19)20/h3-8,10H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at androgen receptor expressed in Cos7 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem 20: 2338-52 (2012)
Article DOI: 10.1016/j.bmc.2012.02.005
BindingDB Entry DOI: 10.7270/Q2H995PT |
More data for this
Ligand-Target Pair | |
Search and Browse
