Found 80 hits with Last Name = 'chang' and Initial = 'wy' 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)) | BDBM18161
((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
| 0.200 | -57.6 | n/a | n/a | 5.10 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM18216
((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...)Show SMILES C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/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
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18161
((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
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377413
(CHEMBL257379)Show SMILES Cc1cccc(c1)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H16F6N2O2/c1-11-3-2-4-12(5-11)17-9-31-18-8-15-13(6-16(18)29(17)10-20(22,23)24)14(21(25,26)27)7-19(30)28-15/h2-8,17H,9-10H2,1H3,(H,28,30)/t17-/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
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377414
(CHEMBL402835)Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-15-6-12-13(20(24,25)26)7-18(29)27-14(12)8-17(15)30-9-16(28)11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,27,29)/t16-/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
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18522
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a | 6-[(2R,5...)Show SMILES C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | -52.4 | n/a | n/a | 7.10 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377415
(CHEMBL404483)Show SMILES CSCC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O2S/c1-28-3-2-9-7-27-14-6-12-10(4-13(14)25(9)8-16(18,19)20)11(17(21,22)23)5-15(26)24-12/h4-6,9H,2-3,7-8H2,1H3,(H,24,26)/t9-/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
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377419
(CHEMBL429311)Show SMILES FC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H11F7N2O2/c16-4-7-5-26-12-3-10-8(1-11(12)24(7)6-14(17,18)19)9(15(20,21)22)2-13(25)23-10/h1-3,7H,4-6H2,(H,23,25)/t7-/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
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586388
(CHEMBL5081557)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccccc5Cl)CC4)c3s2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM18524
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromet...)Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 4.60 | -49.5 | n/a | n/a | 0.200 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM498074
((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r| Show InChI InChI=1S/C29H33F3N4O4S2/c1-4-42(38,39)23-7-5-20(6-8-23)15-33-26(37)24-14-21-13-18(2)40-28(25(21)41-24)9-11-36(12-10-28)19(3)22-16-34-27(35-17-22)29(30,31)32/h5-8,14,16-19H,4,9-13,15H2,1-3H3,(H,33,37)/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377411
(CHEMBL401805)Show SMILES FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H9F9N2O2/c16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24/h1-3,11H,4-5H2,(H,25,27)/t11-/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
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377417
(CHEMBL256326)Show SMILES FC(F)C1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:3.2| Show InChI InChI=1S/C15H10F8N2O2/c16-13(17)10-4-27-11-3-8-6(1-9(11)25(10)5-14(18,19)20)7(15(21,22)23)2-12(26)24-8/h1-3,10,13H,4-5H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18523
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 6b | 6-[(2R,5...)Show SMILES C[C@@H]1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | -48.2 | n/a | n/a | 8.40 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377410
(CHEMBL257988)Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H9F9N2O2/c16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24/h1-3,11H,4-5H2,(H,25,27)/t11-/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
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377425
(CHEMBL402039)Show SMILES COC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F6N2O3/c1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)/t8-/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
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18521
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4f | 6-[(2R,5...)Show SMILES C[C@@H]1CC[C@H](CCl)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C16H16ClF3N2O/c1-9-2-3-11(8-17)22(9)10-4-5-14-12(6-10)13(16(18,19)20)7-15(23)21-14/h4-7,9,11H,2-3,8H2,1H3,(H,21,23)/t9-,11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | -47.5 | n/a | n/a | 12 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377409
(CHEMBL404512)Show SMILES OC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H12F6N2O3/c16-14(17,18)6-23-7(4-24)5-26-12-3-10-8(1-11(12)23)9(15(19,20)21)2-13(25)22-10/h1-3,7,24H,4-6H2,(H,22,25)/t7-/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
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586395
(CHEMBL5069696)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C(F)(F)F)c3s2)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586396
(CHEMBL5079705)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586394
(CHEMBL5078351)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM302860
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r| Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377416
(CHEMBL256284)Show SMILES FC(F)(F)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H11F9N2O2/c17-14(18,19)4-7-5-29-12-3-10-8(1-11(12)27(7)6-15(20,21)22)9(16(23,24)25)2-13(28)26-10/h1-3,7H,4-6H2,(H,26,28)/t7-/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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377420
(CHEMBL256126)Show SMILES FC(F)(F)CN1C(CC#N)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |w:6.6| Show InChI InChI=1S/C16H11F6N3O2/c17-15(18,19)7-25-8(1-2-23)6-27-13-5-11-9(3-12(13)25)10(16(20,21)22)4-14(26)24-11/h3-5,8H,1,6-7H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18518
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4c | 6-[(2R,5...)Show SMILES C[C@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C16H17F3N2O/c1-9-3-4-10(2)21(9)11-5-6-14-12(7-11)13(16(17,18)19)8-15(22)20-14/h5-10H,3-4H2,1-2H3,(H,20,22)/t9-,10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | -45.8 | n/a | n/a | 2.60 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377426
(CHEMBL436644)Show SMILES OC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H12F6N2O3/c16-14(17,18)6-23-7(4-24)5-26-12-3-10-8(1-11(12)23)9(15(19,20)21)2-13(25)22-10/h1-3,7,24H,4-6H2,(H,22,25)/t7-/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
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586389
(CHEMBL5093568)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(Cl)cc5Cl)CC4)c3s2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377418
(CHEMBL254798)Show SMILES FC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H11F7N2O2/c16-4-7-5-26-12-3-10-8(1-11(12)24(7)6-14(17,18)19)9(15(20,21)22)2-13(25)23-10/h1-3,7H,4-6H2,(H,23,25)/t7-/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
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18519
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4d (+/-) | 6-...)Show SMILES C[C@@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C16H17F3N2O/c1-9-3-4-10(2)21(9)11-5-6-14-12(7-11)13(16(17,18)19)8-15(22)20-14/h5-10H,3-4H2,1-2H3,(H,20,22)/t9-,10-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | -43.7 | n/a | n/a | 48 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18525
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 70 | -42.5 | 128 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM18520
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4e | 6-[(2R,5...)Show SMILES C[C@@H]1CC[C@H](CO)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C16H17F3N2O2/c1-9-2-3-11(8-22)21(9)10-4-5-14-12(6-10)13(16(17,18)19)7-15(23)20-14/h4-7,9,11,22H,2-3,8H2,1H3,(H,20,23)/t9-,11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | -42.5 | n/a | n/a | 21 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18517
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4b(+/-) | 6-(...)Show InChI InChI=1S/C15H15F3N2O/c1-9-3-2-6-20(9)10-4-5-13-11(7-10)12(15(16,17)18)8-14(21)19-13/h4-5,7-9H,2-3,6H2,1H3,(H,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 72 | -42.4 | n/a | n/a | 13 | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586393
(CHEMBL5077159)Show SMILES C[C@@H](N1CCC2(CC1)OCCc1cc(sc21)C(=O)NCc1ccc(cc1)S(C)(=O)=O)c1ccc(cc1)C#N |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377424
(CHEMBL404568)Show SMILES COC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F6N2O3/c1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)/t8-/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
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586397
(CHEMBL5092218)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C#N)c3s2)nc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377428
(CHEMBL404222)Show SMILES FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-15-6-12-13(20(24,25)26)7-18(29)27-14(12)8-17(15)30-9-16(28)11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,27,29)/t16-/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
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18525
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377427
(CHEMBL257387)Show SMILES Cc1cccc(c1)[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H16F6N2O2/c1-11-3-2-4-12(5-11)17-9-31-18-8-15-13(6-16(18)29(17)10-20(22,23)24)14(21(25,26)27)7-19(30)28-15/h2-8,17H,9-10H2,1H3,(H,28,30)/t17-/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
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586390
(CHEMBL5081257)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(Cl)cc5)CC4)c3s2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586391
(CHEMBL5085419)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(cc5)C(F)(F)F)CC4)c3s2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586392
(CHEMBL5082586)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(cc5)C#N)CC4)c3s2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 278 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377410
(CHEMBL257988)Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H9F9N2O2/c16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24/h1-3,11H,4-5H2,(H,25,27)/t11-/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
| 281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18516
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 4a | 6-(pyrro...)Show InChI InChI=1S/C14H13F3N2O/c15-14(16,17)11-8-13(20)18-12-4-3-9(7-10(11)12)19-5-1-2-6-19/h3-4,7-8H,1-2,5-6H2,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | -34.3 | 25 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50586398
(CHEMBL4226176) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM302860
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r| Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| >1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to RORalpha (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM302860
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r| Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to RORbeta (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50306682
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | >2 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
| Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... |
J Med Chem 50: 5049-52 (2007)
Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377424
(CHEMBL404568)Show SMILES COC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F6N2O3/c1-26-5-8-6-27-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)/t8-/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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor in CV1 cells by transcriptional activation assay |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377421
(CHEMBL255918)Show SMILES CSCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:3.2| Show InChI InChI=1S/C16H14F6N2O2S/c1-27-6-8-5-26-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor in CV1 cells by transcriptional activation assay |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377410
(CHEMBL257988)Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H9F9N2O2/c16-13(17,18)5-26-9-1-6-7(14(19,20)21)2-12(27)25-8(6)3-10(9)28-4-11(26)15(22,23)24/h1-3,11H,4-5H2,(H,25,27)/t11-/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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at human androgen receptor in CV1 cells by transcriptional activation assay |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this
Ligand-Target Pair | |
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