BindingDB logo
myBDB logout

PubMed code 26305181

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Androgen receptor


(Homo sapiens (Human))		BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Competitive inhibition of androgen binding to androgen receptor (unknown origin) by invitrogen polar screen assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50114395
PNG
(CHEMBL3605564)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:26,t:4,23|
Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/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/an/a 580n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50114397
PNG
(CHEMBL3605563)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:29,t:4,27|
Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7-8,10,22-23,25-26,37-39H,9,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/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/an/a 620n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50114395
PNG
(CHEMBL3605564)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:26,t:4,23|
Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/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/an/a 750n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK3 gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50114395
PNG
(CHEMBL3605564)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:26,t:4,23|
Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6,8-9,21-22,24,34-36H,7,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/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/an/a 770n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced SPDEF gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50114397
PNG
(CHEMBL3605563)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:29,t:4,27|
Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7-8,10,22-23,25-26,37-39H,9,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/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/an/a 1.20E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced SPDEF gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50114397
PNG
(CHEMBL3605563)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:29,t:4,27|
Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7-8,10,22-23,25-26,37-39H,9,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/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/an/a 1.42E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK3 gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50112125
PNG
(CHEMBL3605562)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:30,t:4,27|
Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7,9-10,22-23,25-26,37-39H,8,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.79E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50114392
PNG
(CHEMBL3605560)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:25,t:4,23|
Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6-7,9,21-22,24,34-36H,8,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/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/an/a 2.40E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50112125
PNG
(CHEMBL3605562)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:30,t:4,27|
Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7,9-10,22-23,25-26,37-39H,8,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.72E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced SPDEF gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50114392
PNG
(CHEMBL3605560)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:25,t:4,23|
Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6-7,9,21-22,24,34-36H,8,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/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/an/a 3.28E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced SPDEF gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50114392
PNG
(CHEMBL3605560)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:25,t:4,23|
Show InChI InChI=1S/C30H40O8/c1-17-15-24(38-25(33)18(17)2)27(5,34)30(36)14-13-29(35)22-10-9-20-7-6-8-23(32)26(20,4)21(22)11-12-28(29,30)16-37-19(3)31/h6-7,9,21-22,24,34-36H,8,10-16H2,1-5H3/t21-,22+,24+,26-,27-,28+,29+,30+/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/an/a 3.52E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK3 gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50112125
PNG
(CHEMBL3605562)
Show SMILES [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:30,t:4,27|
Show InChI InChI=1S/C32H42O10/c1-17-14-25(42-27(36)18(17)2)29(6,37)31(38)15-26(41-20(4)34)32(39)23-11-10-21-8-7-9-24(35)28(21,5)22(23)12-13-30(31,32)16-40-19(3)33/h7,9-10,22-23,25-26,37-39H,8,11-16H2,1-6H3/t22-,23+,25+,26-,28-,29-,30-,31+,32-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.58E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK3 gene expression by Array Plate assay

J Med Chem 58: 6984-93 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00867
BindingDB Entry DOI: 10.7270/Q2GF0W97
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%