Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50048092 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)) | BDBM50204245
(CHEMBL3898284)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5| Show InChI InChI=1S/C17H15F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h2-5,7,10,12,15H,6,9H2,1H3/t10-,12+,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204251
(CHEMBL3921315)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C18H18F3N3O3S/c1-23-16(25)17-12-4-2-10(6-12)15(17)9-24(28(17,26)27)13-5-3-11(8-22)14(7-13)18(19,20)21/h3,5,7,10,12,15H,2,4,6,9H2,1H3,(H,23,25)/t10-,12+,15-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204241
(CHEMBL3917372)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-6-12(4-3-11(14)7-20)21-8-13-9-1-2-10(5-9)15(13)24(21,22)23/h3-4,6,9-10,13,15H,1-2,5,8H2/t9-,10+,13-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204247
(CHEMBL3920247)Show SMILES [H][C@]12C[C@H](O)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-13-4-10(5-15(13)23)14(16)8-22(26(16,24)25)11-3-2-9(7-21)12(6-11)17(18,19)20/h2-3,6,10,13-15,23H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204243
(CHEMBL3926358)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H17F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h3,5,7,10,12,15H,2,4,6,9H2,1H3/t10-,12+,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204246
(CHEMBL3893320)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C(N)=O)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H16F3N3O3S/c18-17(19,20)13-6-12(4-2-10(13)7-21)23-8-14-9-1-3-11(5-9)16(14,15(22)24)27(23,25)26/h2,4,6,9,11,14H,1,3,5,8H2,(H2,22,24)/t9-,11+,14-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204242
(CHEMBL3902310)Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C18H17F4N3O3S/c1-24-16(26)17-13-4-10(5-15(13)19)14(17)8-25(29(17,27)28)11-3-2-9(7-23)12(6-11)18(20,21)22/h2-3,6,10,13-15H,4-5,8H2,1H3,(H,24,26)/t10-,13+,14+,15+,17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204249
(CHEMBL3935242)Show SMILES [H][C@]12CC[C@]([H])(C1=O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10| Show InChI InChI=1S/C17H15F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14H,4-5,8H2,1H3/t11-,12-,14+,16-/m1/s1 | 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
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204250
(CHEMBL3949176)Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H16F4N2O2S/c1-16-13-4-10(5-15(13)18)14(16)8-23(26(16,24)25)11-3-2-9(7-22)12(6-11)17(19,20)21/h2-3,6,10,13-15H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204248
(CHEMBL3987109)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5| Show InChI InChI=1S/C16H13F3N2O2S/c17-16(18,19)14-6-12(4-3-11(14)7-20)21-8-13-9-1-2-10(5-9)15(13)24(21,22)23/h1-4,6,9-10,13,15H,5,8H2/t9-,10+,13-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204240
(CHEMBL3939272)Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(C1)[C@]1([H])CN(c3ccc(C#N)c(c3)C(F)(F)F)S(=O)(=O)[C@]21C |r| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-10-4-12(15(23)5-10)14(16)8-22(26(16,24)25)11-3-2-9(7-21)13(6-11)17(18,19)20/h2-3,6,10,12,14-15,23H,4-5,8H2,1H3/t10-,12-,14-,15+,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204244
(CHEMBL3907304)Show SMILES [H][C@]12CC[C@]([H])(C1O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14-15,23H,4-5,8H2,1H3/t11-,12-,14+,15?,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204244
(CHEMBL3907304)Show SMILES [H][C@]12CC[C@]([H])(C1O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14-15,23H,4-5,8H2,1H3/t11-,12-,14+,15?,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204245
(CHEMBL3898284)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5| Show InChI InChI=1S/C17H15F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h2-5,7,10,12,15H,6,9H2,1H3/t10-,12+,15-,16+/m0/s1 | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204251
(CHEMBL3921315)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C18H18F3N3O3S/c1-23-16(25)17-12-4-2-10(6-12)15(17)9-24(28(17,26)27)13-5-3-11(8-22)14(7-13)18(19,20)21/h3,5,7,10,12,15H,2,4,6,9H2,1H3,(H,23,25)/t10-,12+,15-,17+/m0/s1 | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204246
(CHEMBL3893320)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C(N)=O)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H16F3N3O3S/c18-17(19,20)13-6-12(4-2-10(13)7-21)23-8-14-9-1-3-11(5-9)16(14,15(22)24)27(23,25)26/h2,4,6,9,11,14H,1,3,5,8H2,(H2,22,24)/t9-,11+,14-,16+/m0/s1 | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204242
(CHEMBL3902310)Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C18H17F4N3O3S/c1-24-16(26)17-13-4-10(5-15(13)19)14(17)8-25(29(17,27)28)11-3-2-9(7-23)12(6-11)18(20,21)22/h2-3,6,10,13-15H,4-5,8H2,1H3,(H,24,26)/t10-,13+,14+,15+,17-/m1/s1 | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204249
(CHEMBL3935242)Show SMILES [H][C@]12CC[C@]([H])(C1=O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10| Show InChI InChI=1S/C17H15F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14H,4-5,8H2,1H3/t11-,12-,14+,16-/m1/s1 | 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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204243
(CHEMBL3926358)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H17F3N2O2S/c1-16-12-4-2-10(6-12)15(16)9-22(25(16,23)24)13-5-3-11(8-21)14(7-13)17(18,19)20/h3,5,7,10,12,15H,2,4,6,9H2,1H3/t10-,12+,15-,16+/m0/s1 | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204250
(CHEMBL3949176)Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H16F4N2O2S/c1-16-13-4-10(5-15(13)18)14(16)8-23(26(16,24)25)11-3-2-9(7-22)12(6-11)17(19,20)21/h2-3,6,10,13-15H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1 | 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 | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204247
(CHEMBL3920247)Show SMILES [H][C@]12C[C@H](O)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-13-4-10(5-15(13)23)14(16)8-22(26(16,24)25)11-3-2-9(7-21)12(6-11)17(18,19)20/h2-3,6,10,13-15,23H,4-5,8H2,1H3/t10-,13+,14+,15+,16-/m1/s1 | 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 | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204241
(CHEMBL3917372)Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r| Show InChI InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-6-12(4-3-11(14)7-20)21-8-13-9-1-2-10(5-9)15(13)24(21,22)23/h3-4,6,9-10,13,15H,1-2,5,8H2/t9-,10+,13-,15+/m0/s1 | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204248
(CHEMBL3987109)Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5| Show InChI InChI=1S/C16H13F3N2O2S/c17-16(18,19)14-6-12(4-3-11(14)7-20)21-8-13-9-1-2-10(5-9)15(13)24(21,22)23/h1-4,6,9-10,13,15H,5,8H2/t9-,10+,13-,15+/m0/s1 | 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 | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204244
(CHEMBL3907304)Show SMILES [H][C@]12CC[C@]([H])(C1O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14-15,23H,4-5,8H2,1H3/t11-,12-,14+,15?,16-/m1/s1 | 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 | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204244
(CHEMBL3907304)Show SMILES [H][C@]12CC[C@]([H])(C1O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14-15,23H,4-5,8H2,1H3/t11-,12-,14+,15?,16-/m1/s1 | 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 | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50204240
(CHEMBL3939272)Show SMILES [H][C@@]12C[C@@H](O)[C@@]([H])(C1)[C@]1([H])CN(c3ccc(C#N)c(c3)C(F)(F)F)S(=O)(=O)[C@]21C |r| Show InChI InChI=1S/C17H17F3N2O3S/c1-16-10-4-12(15(23)5-10)14(16)8-22(26(16,24)25)11-3-2-9(7-21)13(6-11)17(18,19)20/h2-3,6,10,12,14-15,23H,4-5,8H2,1H3/t10-,12-,14-,15+,16+/m0/s1 | 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation |
Bioorg Med Chem Lett 26: 5707-5711 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.059
BindingDB Entry DOI: 10.7270/Q2PK0J43 |
More data for this
Ligand-Target Pair | |
Search and Browse
