Found 75 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)) | BDBM50353536
(CHEMBL1830778)Show SMILES CCCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C19H23F3N2O2/c1-5-6-12(2)24-11-18(3,4)16(17(24)25)26-14-8-7-13(10-23)15(9-14)19(20,21)22/h7-9,12,16H,5-6,11H2,1-4H3 | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353537
(CHEMBL1830775)Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353537
(CHEMBL1830775)Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3 | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319611
((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...)Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319611
((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...)Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353538
(CHEMBL1830944)Show SMILES CC1(C)CN(Cc2cccc(O)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-4-3-5-15(27)8-13)19(28)18(20)29-16-7-6-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353539
(CHEMBL1830943)Show SMILES CC1(C)CN(Cc2ccccc2O)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-14-5-3-4-6-17(14)27)19(28)18(20)29-15-8-7-13(10-25)16(9-15)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353539
(CHEMBL1830943)Show SMILES CC1(C)CN(Cc2ccccc2O)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-14-5-3-4-6-17(14)27)19(28)18(20)29-15-8-7-13(10-25)16(9-15)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353540
(CHEMBL1830945)Show SMILES CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-3-6-15(27)7-4-13)19(28)18(20)29-16-8-5-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353541
(CHEMBL1830774)Show SMILES CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3 | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353541
(CHEMBL1830774)Show SMILES CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3 | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319612
((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)Show SMILES CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C22H21F3N2O2S/c1-21(2)13-27(12-14-4-8-17(30-3)9-5-14)20(28)19(21)29-16-7-6-15(11-26)18(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3/t19-/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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319612
((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)Show SMILES CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C22H21F3N2O2S/c1-21(2)13-27(12-14-4-8-17(30-3)9-5-14)20(28)19(21)29-16-7-6-15(11-26)18(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3/t19-/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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319611
((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...)Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319611
((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...)Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353540
(CHEMBL1830945)Show SMILES CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-3-6-15(27)7-4-13)19(28)18(20)29-16-8-5-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353542
(CHEMBL1830779)Show SMILES CCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-5-11(2)23-10-17(3,4)15(16(23)24)25-13-7-6-12(9-22)14(8-13)18(19,20)21/h6-8,11,15H,5,10H2,1-4H3 | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353543
(CHEMBL1830954)Show SMILES CC1(C)CN(Cc2noc(n2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(33-29-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353544
(CHEMBL1830769)Show SMILES CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353545
(CHEMBL1830952)Show SMILES CC1(C)CN(Cc2nc3ccccc3s2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O2S/c1-21(2)12-28(11-18-27-16-5-3-4-6-17(16)31-18)20(29)19(21)30-14-8-7-13(10-26)15(9-14)22(23,24)25/h3-9,19H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319613
((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...)Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319613
((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...)Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353546
(CHEMBL1830941)Show SMILES CC1(C)CN(Cc2cccc(F)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-13-4-3-5-15(22)8-13)19(28)18(20)29-16-7-6-14(10-26)17(9-16)21(23,24)25/h3-9,18H,11-12H2,1-2H3 | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353545
(CHEMBL1830952)Show SMILES CC1(C)CN(Cc2nc3ccccc3s2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O2S/c1-21(2)12-28(11-18-27-16-5-3-4-6-17(16)31-18)20(29)19(21)30-14-8-7-13(10-26)15(9-14)22(23,24)25/h3-9,19H,11-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353547
(CHEMBL1830955)Show SMILES CC1(C)CN(Cc2nc(no2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(29-33-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353546
(CHEMBL1830941)Show SMILES CC1(C)CN(Cc2cccc(F)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-13-4-3-5-15(22)8-13)19(28)18(20)29-16-7-6-14(10-26)17(9-16)21(23,24)25/h3-9,18H,11-12H2,1-2H3 | 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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353544
(CHEMBL1830769)Show SMILES CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353544
(CHEMBL1830769)Show SMILES CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353550
(CHEMBL1830771)Show InChI InChI=1S/C14H13F3N2O2/c1-13(2)7-19-12(20)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3,(H,19,20) | 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 | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353543
(CHEMBL1830954)Show SMILES CC1(C)CN(Cc2noc(n2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(33-29-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353537
(CHEMBL1830775)Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3 | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353537
(CHEMBL1830775)Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3 | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353551
(CHEMBL1830950)Show SMILES CCOC(=O)c1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1 Show InChI InChI=1S/C22H21F3N2O5/c1-4-30-20(29)17-8-7-15(31-17)11-27-12-21(2,3)18(19(27)28)32-14-6-5-13(10-26)16(9-14)22(23,24)25/h5-9,18H,4,11-12H2,1-3H3 | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353552
(CHEMBL1830938)Show SMILES COc1cccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)c1 Show InChI InChI=1S/C22H21F3N2O3/c1-21(2)13-27(12-14-5-4-6-16(9-14)29-3)20(28)19(21)30-17-8-7-15(11-26)18(10-17)22(23,24)25/h4-10,19H,12-13H2,1-3H3 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319613
((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...)Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/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 | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319613
((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...)Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/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 | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353544
(CHEMBL1830769)Show SMILES CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353548
(CHEMBL1830949)Show SMILES CC1(C)CN(Cc2ccncc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O2/c1-19(2)12-26(11-13-5-7-25-8-6-13)18(27)17(19)28-15-4-3-14(10-24)16(9-15)20(21,22)23/h3-9,17H,11-12H2,1-2H3 | 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 | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353542
(CHEMBL1830779)Show SMILES CCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-5-11(2)23-10-17(3,4)15(16(23)24)25-13-7-6-12(9-22)14(8-13)18(19,20)21/h6-8,11,15H,5,10H2,1-4H3 | 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 | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353542
(CHEMBL1830779)Show SMILES CCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-5-11(2)23-10-17(3,4)15(16(23)24)25-13-7-6-12(9-22)14(8-13)18(19,20)21/h6-8,11,15H,5,10H2,1-4H3 | 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 | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353553
(CHEMBL1830942)Show SMILES CC1(C)CN(Cc2ccc(F)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-13-3-6-15(22)7-4-13)19(28)18(20)29-16-8-5-14(10-26)17(9-16)21(23,24)25/h3-9,18H,11-12H2,1-2H3 | 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 | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353547
(CHEMBL1830955)Show SMILES CC1(C)CN(Cc2nc(no2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(29-33-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353551
(CHEMBL1830950)Show SMILES CCOC(=O)c1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1 Show InChI InChI=1S/C22H21F3N2O5/c1-4-30-20(29)17-8-7-15(31-17)11-27-12-21(2,3)18(19(27)28)32-14-6-5-13(10-26)16(9-14)22(23,24)25/h5-9,18H,4,11-12H2,1-3H3 | 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 | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319612
((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)Show SMILES CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C22H21F3N2O2S/c1-21(2)13-27(12-14-4-8-17(30-3)9-5-14)20(28)19(21)29-16-7-6-15(11-26)18(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3/t19-/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 | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50319612
((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)Show SMILES CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C22H21F3N2O2S/c1-21(2)13-27(12-14-4-8-17(30-3)9-5-14)20(28)19(21)29-16-7-6-15(11-26)18(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3/t19-/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 | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353541
(CHEMBL1830774)Show SMILES CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3 | 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 | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353541
(CHEMBL1830774)Show SMILES CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3 | 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 | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353553
(CHEMBL1830942)Show SMILES CC1(C)CN(Cc2ccc(F)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-13-3-6-15(22)7-4-13)19(28)18(20)29-16-8-5-14(10-26)17(9-16)21(23,24)25/h3-9,18H,11-12H2,1-2H3 | 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 | 199 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353536
(CHEMBL1830778)Show SMILES CCCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C19H23F3N2O2/c1-5-6-12(2)24-11-18(3,4)16(17(24)25)26-14-8-7-13(10-23)15(9-14)19(20,21)22/h7-9,12,16H,5-6,11H2,1-4H3 | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353549
(CHEMBL1830951)Show SMILES COC(=O)c1csc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)n1 Show InChI InChI=1S/C20H18F3N3O4S/c1-19(2)10-26(8-15-25-14(9-31-15)18(28)29-3)17(27)16(19)30-12-5-4-11(7-24)13(6-12)20(21,22)23/h4-6,9,16H,8,10H2,1-3H3 | 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 | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353554
(CHEMBL1830776)Show SMILES CCCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C19H23F3N2O2/c1-4-5-6-9-24-12-18(2,3)16(17(24)25)26-14-8-7-13(11-23)15(10-14)19(20,21)22/h7-8,10,16H,4-6,9,12H2,1-3H3 | 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 | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353570
(CHEMBL1830939)Show SMILES COc1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 Show InChI InChI=1S/C22H21F3N2O3/c1-21(2)13-27(12-14-4-7-16(29-3)8-5-14)20(28)19(21)30-17-9-6-15(11-26)18(10-17)22(23,24)25/h4-10,19H,12-13H2,1-3H3 | 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 | 284 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353555
(CHEMBL1830937)Show SMILES COc1ccccc1CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C22H21F3N2O3/c1-21(2)13-27(12-15-6-4-5-7-18(15)29-3)20(28)19(21)30-16-9-8-14(11-26)17(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3 | 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 | 298 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353552
(CHEMBL1830938)Show SMILES COc1cccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)c1 Show InChI InChI=1S/C22H21F3N2O3/c1-21(2)13-27(12-14-5-4-6-16(9-14)29-3)20(28)19(21)30-17-8-7-15(11-26)18(10-17)22(23,24)25/h4-10,19H,12-13H2,1-3H3 | 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 | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353556
(CHEMBL1830953)Show SMILES Cc1nc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cs1 Show InChI InChI=1S/C19H18F3N3O2S/c1-11-24-13(9-28-11)8-25-10-18(2,3)16(17(25)26)27-14-5-4-12(7-23)15(6-14)19(20,21)22/h4-6,9,16H,8,10H2,1-3H3 | 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 | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353557
(CHEMBL1830773)Show SMILES CCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C16H17F3N2O2/c1-4-21-9-15(2,3)13(14(21)22)23-11-6-5-10(8-20)12(7-11)16(17,18)19/h5-7,13H,4,9H2,1-3H3 | 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 | 399 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353558
(CHEMBL1830780)Show SMILES CCC(CC)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C20H25F3N2O2/c1-5-13(6-2)11-25-12-19(3,4)17(18(25)26)27-15-8-7-14(10-24)16(9-15)20(21,22)23/h7-9,13,17H,5-6,11-12H2,1-4H3 | 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 | 444 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353559
(CHEMBL1830786)Show SMILES COC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H17F3N2O4/c1-16(2)9-22(8-13(23)25-3)15(24)14(16)26-11-5-4-10(7-21)12(6-11)17(18,19)20/h4-6,14H,8-9H2,1-3H3 | 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 | 494 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353560
(CHEMBL1830782)Show SMILES COCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C16H17F3N2O3/c1-15(2)8-21(9-23-3)14(22)13(15)24-11-5-4-10(7-20)12(6-11)16(17,18)19/h4-6,13H,8-9H2,1-3H3 | 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 | 516 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353561
(CHEMBL1830785)Show SMILES CC1(C)CN(CCCO)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O3/c1-16(2)10-22(6-3-7-23)15(24)14(16)25-12-5-4-11(9-21)13(8-12)17(18,19)20/h4-5,8,14,23H,3,6-7,10H2,1-2H3 | 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 | 523 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353548
(CHEMBL1830949)Show SMILES CC1(C)CN(Cc2ccncc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O2/c1-19(2)12-26(11-13-5-7-25-8-6-13)18(27)17(19)28-15-4-3-14(10-24)16(9-15)20(21,22)23/h3-9,17H,11-12H2,1-2H3 | 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 | >600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353538
(CHEMBL1830944)Show SMILES CC1(C)CN(Cc2cccc(O)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-4-3-5-15(27)8-13)19(28)18(20)29-16-7-6-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3 | 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 | >600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353562
(CHEMBL1830777)Show SMILES CCCCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C20H25F3N2O2/c1-4-5-6-7-10-25-13-19(2,3)17(18(25)26)27-15-9-8-14(12-24)16(11-15)20(21,22)23/h8-9,11,17H,4-7,10,13H2,1-3H3 | 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 | 766 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353563
(CHEMBL1830947)Show SMILES CC1(C)CN(Cc2ccccn2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O2/c1-19(2)12-26(11-14-5-3-4-8-25-14)18(27)17(19)28-15-7-6-13(10-24)16(9-15)20(21,22)23/h3-9,17H,11-12H2,1-2H3 | 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 | 767 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353564
(CHEMBL1830781)Show SMILES CC(C)CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C20H25F3N2O2/c1-13(2)6-5-9-25-12-19(3,4)17(18(25)26)27-15-8-7-14(11-24)16(10-15)20(21,22)23/h7-8,10,13,17H,5-6,9,12H2,1-4H3 | 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 | 802 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353565
(CHEMBL1830948)Show SMILES CC1(C)CN(Cc2cccnc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O2/c1-19(2)12-26(11-13-4-3-7-25-10-13)18(27)17(19)28-15-6-5-14(9-24)16(8-15)20(21,22)23/h3-8,10,17H,11-12H2,1-2H3 | 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 | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353549
(CHEMBL1830951)Show SMILES COC(=O)c1csc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)n1 Show InChI InChI=1S/C20H18F3N3O4S/c1-19(2)10-26(8-15-25-14(9-31-15)18(28)29-3)17(27)16(19)30-12-5-4-11(7-24)13(6-12)20(21,22)23/h4-6,9,16H,8,10H2,1-3H3 | 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 | >900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353566
(CHEMBL1830770)Show SMILES CC1(C)COC(=O)[C@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor by cell based assay |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353567
(CHEMBL1830772)Show InChI InChI=1S/C15H15F3N2O2/c1-14(2)8-20(3)13(21)12(14)22-10-5-4-9(7-19)11(6-10)15(16,17)18/h4-6,12H,8H2,1-3H3 | 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 | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353568
(CHEMBL1830783)Show SMILES COCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O3/c1-16(2)10-22(6-7-24-3)15(23)14(16)25-12-5-4-11(9-21)13(8-12)17(18,19)20/h4-5,8,14H,6-7,10H2,1-3H3 | 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 | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353569
(CHEMBL1830784)Show SMILES CSCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2S/c1-16(2)10-22(6-7-25-3)15(23)14(16)24-12-5-4-11(9-21)13(8-12)17(18,19)20/h4-5,8,14H,6-7,10H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353550
(CHEMBL1830771)Show InChI InChI=1S/C14H13F3N2O2/c1-13(2)7-19-12(20)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3,(H,19,20) | 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 | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353571
(CHEMBL1830787)Show SMILES CCOC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H19F3N2O4/c1-4-26-14(24)9-23-10-17(2,3)15(16(23)25)27-12-6-5-11(8-22)13(7-12)18(19,20)21/h5-7,15H,4,9-10H2,1-3H3 | 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 | 3.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353572
(CHEMBL1830788)Show SMILES CCNC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H20F3N3O3/c1-4-23-14(25)9-24-10-17(2,3)15(16(24)26)27-12-6-5-11(8-22)13(7-12)18(19,20)21/h5-7,15H,4,9-10H2,1-3H3,(H,23,25) | 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 | 4.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50353566
(CHEMBL1830770)Show SMILES CC1(C)COC(=O)[C@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human androgen receptor |
Bioorg Med Chem Lett 21: 5230-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.048
BindingDB Entry DOI: 10.7270/Q21836WZ |
More data for this
Ligand-Target Pair | |
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