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Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'davis' and Initial = 'rl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (Human))
BDBM50077095
PNG
(CHEMBL281945 | Trans-7-Methyl-4-trifluoromethyl-6-...)
Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1CCC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9?/m0/s1
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077104
PNG
(CHEMBL431493 | Cis-(4aR,12bS)-11-Trifluoromethyl-2...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/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-/s2
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/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-/s2
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3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor


J Med Chem 42: 210-2 (1999)


Article DOI: 10.1021/jm9806648
BindingDB Entry DOI: 10.7270/Q2F76D8W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50073060
PNG
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)
Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1
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4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Androgen receptor expressed in COS-1 cells


J Med Chem 42: 210-2 (1999)


Article DOI: 10.1021/jm9806648
BindingDB Entry DOI: 10.7270/Q2F76D8W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18190
PNG
(6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...)
Show SMILES CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)
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7n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077105
PNG
(CHEMBL418198 | Trans-6-Ethyl-7-methyl-4-trifluorom...)
Show SMILES CCC1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(22)21-14/h4-6,8-9,20H,3,7H2,1-2H3,(H,21,22)/t8-,9?/m0/s1
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077112
PNG
(CHEMBL27812 | Cis-(3aR,11bS)-10-Trifluoromethyl-1,...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12
Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)12-5-15(22)21-14-6-13-10(4-11(12)14)9-3-1-2-8(9)7-20-13/h4-6,8-9,20H,1-3,7H2,(H,21,22)/t8-,9-/m0/s1
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077115
PNG
(CHEMBL282204 | Cis-6,7-Dimethyl-4-trifluoromethyl-...)
Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m1/s1
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077097
PNG
(6-Methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-p...)
Show SMILES CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C14H13F3N2O/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(20)19-12/h4-7,18H,2-3H2,1H3,(H,19,20)
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077111
PNG
(6-Ethyl-1-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...)
Show SMILES CCC1CCNc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O/c1-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21(14)2/h6-9,20H,3-5H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077108
PNG
(6,6-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...)
Show SMILES CC1(C)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-14(2)3-4-19-12-7-11-8(5-10(12)14)9(15(16,17)18)6-13(21)20-11/h5-7,19H,3-4H2,1-2H3,(H,20,21)
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12n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077109
PNG
(6-Isopropyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...)
Show SMILES CC(C)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O/c1-8(2)9-3-4-20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)
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13n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077096
PNG
(CHEMBL25802 | Trans-11-Trifluoromethyl-2,3,4,4a,5,...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@H]4CCCC[C@@H]4c3cc12
Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10+/m1/s1
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15n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077099
PNG
(CHEMBL436344 | Trans-6,7-Dimethyl-4-trifluoromethy...)
Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m0/s1
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16n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18190
PNG
(6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...)
Show SMILES CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)
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17n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Androgen receptor expressed in COS-1 cells


J Med Chem 42: 210-2 (1999)


Article DOI: 10.1021/jm9806648
BindingDB Entry DOI: 10.7270/Q2F76D8W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077114
PNG
(4-Trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NCCCc3cc12
Show InChI InChI=1S/C13H11F3N2O/c14-13(15,16)9-5-12(19)18-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2,(H,18,19)
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19n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077100
PNG
(6-Isobutyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H...)
Show SMILES CC(C)CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C17H19F3N2O/c1-9(2)5-10-3-4-21-14-8-15-12(6-11(10)14)13(17(18,19)20)7-16(23)22-15/h6-10,21H,3-5H2,1-2H3,(H,22,23)
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22n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403736
PNG
(CHEMBL2113261)
Show SMILES CC[C@@H]1[C@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(22)21-14/h4-6,8-9,20H,3,7H2,1-2H3,(H,21,22)/t8-,9-/m1/s1
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27n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077113
PNG
(6-Propyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-p...)
Show SMILES CCCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O/c1-2-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21-14/h6-9,20H,2-5H2,1H3,(H,21,22)
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29n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077110
PNG
(6,6-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...)
Show SMILES CCC1(CC)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-3-16(4-2)5-6-21-14-9-13-10(7-12(14)16)11(17(18,19)20)8-15(23)22-13/h7-9,21H,3-6H2,1-2H3,(H,22,23)
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58n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403735
PNG
(CHEMBL2113248)
Show SMILES CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O/c1-9(2)4-11-10(3)8-22-15-7-16-13(5-12(11)15)14(18(19,20)21)6-17(24)23-16/h5-7,9-11,22H,4,8H2,1-3H3,(H,23,24)/t10-,11+/m0/s1
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72n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077094
PNG
(6-Ethyl-1,9-dimethyl-4-trifluoromethyl-6,7,8,9-tet...)
Show SMILES CCC1CCN(C)c2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C17H19F3N2O/c1-4-10-5-6-21(2)14-9-15-12(7-11(10)14)13(17(18,19)20)8-16(23)22(15)3/h7-10H,4-6H2,1-3H3
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263n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077107
PNG
(6-Ethyl-9-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...)
Show SMILES CCC1CCN(C)c2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O/c1-3-9-4-5-21(2)14-8-13-11(6-10(9)14)12(16(17,18)19)7-15(22)20-13/h6-9H,3-5H2,1-2H3,(H,20,22)
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630n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403734
PNG
(CHEMBL2113247)
Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2[C@@H]1CCC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077101
PNG
(4-Ethyl-8-oxo-6-trifluoromethyl-3,4,8,9-tetrahydro...)
Show SMILES CCC1CCN(C=O)c2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C16H15F3N2O2/c1-2-9-3-4-21(8-22)14-7-13-11(5-10(9)14)12(16(17,18)19)6-15(23)20-13/h5-9H,2-4H2,1H3,(H,20,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077102
PNG
(6-(3,5-Bis-trifluoromethyl-phenyl)-4-trifluorometh...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C21H13F9N2O/c22-19(23,24)10-3-9(4-11(5-10)20(25,26)27)12-1-2-31-16-8-17-14(6-13(12)16)15(21(28,29)30)7-18(33)32-17/h3-8,12,31H,1-2H2,(H,32,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity to the human androgen receptor (hAR) in CV-1 cells


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50073060
PNG
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)
Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1
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n/an/a 0n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity against Human Androgen receptor expressed in CV-1 cells


J Med Chem 42: 210-2 (1999)


Article DOI: 10.1021/jm9806648
BindingDB Entry DOI: 10.7270/Q2F76D8W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1/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-/s2
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n/an/a 0n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 42: 210-2 (1999)


Article DOI: 10.1021/jm9806648
BindingDB Entry DOI: 10.7270/Q2F76D8W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319027
PNG
((+/-)-3-(amino(2-(2-aminopyrimidin-4-yl)-3-methylb...)
Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(O)c1)-c1ccnc(N)n1
Show InChI InChI=1/C20H18N4OS/c1-11-15-10-13(18(21)12-3-2-4-14(25)9-12)5-6-17(15)26-19(11)16-7-8-23-20(22)24-16/h2-10,18,25H,21H2,1H3,(H2,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077114
PNG
(4-Trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NCCCc3cc12
Show InChI InChI=1S/C13H11F3N2O/c14-13(15,16)9-5-12(19)18-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2,(H,18,19)
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n/an/a 12n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077108
PNG
(6,6-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...)
Show SMILES CC1(C)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-14(2)3-4-19-12-7-11-8(5-10(12)14)9(15(16,17)18)6-13(21)20-11/h5-7,19H,3-4H2,1-2H3,(H,20,21)
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n/an/a 16n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077111
PNG
(6-Ethyl-1-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...)
Show SMILES CCC1CCNc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1/C16H17F3N2O/c1-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21(14)2/h6-9,20H,3-5H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319021
PNG
(3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...)
Show SMILES Cc1c(sc2ccc(Cc3cccc(O)c3)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C20H17N3OS/c1-12-16-11-14(9-13-3-2-4-15(24)10-13)5-6-18(16)25-19(12)17-7-8-22-20(21)23-17/h2-8,10-11,24H,9H2,1H3,(H2,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319025
PNG
(3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...)
Show SMILES Cc1c(sc2ccc(Nc3cccc(O)c3)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C19H16N4OS/c1-11-15-10-13(22-12-3-2-4-14(24)9-12)5-6-17(15)25-18(11)16-7-8-21-19(20)23-16/h2-10,22,24H,1H3,(H2,20,21,23)
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n/an/a 20n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319026
PNG
((+/-)-4-(5-(amino(3-methoxyphenyl)methyl)-3-methyl...)
Show SMILES COc1cccc(c1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C21H20N4OS/c1-12-16-11-14(19(22)13-4-3-5-15(10-13)26-2)6-7-18(16)27-20(12)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)
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n/an/a 20n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319031
PNG
((+/-)-4-(5-(amino(phenyl)methyl)-3-methylbenzo[b]t...)
Show SMILES Cc1c(sc2ccc(cc12)C(N)c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1/C20H18N4S/c1-12-15-11-14(18(21)13-5-3-2-4-6-13)7-8-17(15)25-19(12)16-9-10-23-20(22)24-16/h2-11,18H,21H2,1H3,(H2,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319035
PNG
((+/-)-4-(5-(1-aminobutyl)-3-methylbenzo[b]thiophen...)
Show SMILES CCCC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C17H20N4S/c1-3-4-13(18)11-5-6-15-12(9-11)10(2)16(22-15)14-7-8-20-17(19)21-14/h5-9,13H,3-4,18H2,1-2H3,(H2,19,20,21)
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n/an/a 20n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403735
PNG
(CHEMBL2113248)
Show SMILES CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O/c1-9(2)4-11-10(3)8-22-15-7-16-13(5-12(11)15)14(18(19,20)21)6-17(24)23-16/h5-7,9-11,22H,4,8H2,1-3H3,(H,23,24)/t10-,11+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319037
PNG
((+/-)-4-(5-(1-amino-3-methylbutyl)-3-methylbenzo[b...)
Show SMILES CC(C)CC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C18H22N4S/c1-10(2)8-14(19)12-4-5-16-13(9-12)11(3)17(23-16)15-6-7-21-18(20)22-15/h4-7,9-10,14H,8,19H2,1-3H3,(H2,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12
Show InChI InChI=1/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/s2
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n/an/a 30n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Show InChI InChI=1/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/s2
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n/an/a 30n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319029
PNG
((+/-)--4-(5-(amino(3-chlorophenyl)methyl)-3-methyl...)
Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(Cl)c1)-c1ccnc(N)n1
Show InChI InChI=1/C20H17ClN4S/c1-11-15-10-13(18(22)12-3-2-4-14(21)9-12)5-6-17(15)26-19(11)16-7-8-24-20(23)25-16/h2-10,18H,22H2,1H3,(H2,23,24,25)
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n/an/a 30n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319030
PNG
((+/-)--4-(5-(amino(m-tolyl)methyl)-3-methylbenzo[b...)
Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(C)c1)-c1ccnc(N)n1
Show InChI InChI=1/C21H20N4S/c1-12-4-3-5-14(10-12)19(22)15-6-7-18-16(11-15)13(2)20(26-18)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)
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n/an/a 50n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319022
PNG
(3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...)
Show SMILES Cc1c(sc2ccc(Cc3cccc(c3)C(O)=O)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C21H17N3O2S/c1-12-16-11-14(9-13-3-2-4-15(10-13)20(25)26)5-6-18(16)27-19(12)17-7-8-23-21(22)24-17/h2-8,10-11H,9H2,1H3,(H,25,26)(H2,22,23,24)
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n/an/a 60n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319036
PNG
((+/-)-4-(5-(1-amino-2-methylpropyl)-3-methylbenzo[...)
Show SMILES CC(C)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C17H20N4S/c1-9(2)15(18)11-4-5-14-12(8-11)10(3)16(22-14)13-6-7-20-17(19)21-13/h4-9,15H,18H2,1-3H3,(H2,19,20,21)
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n/an/a 60n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077095
PNG
(CHEMBL281945 | Trans-7-Methyl-4-trifluoromethyl-6-...)
Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1CCC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9?/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403734
PNG
(CHEMBL2113247)
Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2[C@@H]1CCC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50077110
PNG
(6,6-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...)
Show SMILES CCC1(CC)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-3-16(4-2)5-6-21-14-9-13-10(7-12(14)16)11(17(18,19)20)8-15(23)22-13/h7-9,21H,3-6H2,1-2H3,(H,22,23)
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n/an/a 73n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00186-9
BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319028
PNG
((+/-)--4-(5-(amino(4-methoxyphenyl)methyl)-3-methy...)
Show SMILES COc1ccc(cc1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C21H20N4OS/c1-12-16-11-14(19(22)13-3-6-15(26-2)7-4-13)5-8-18(16)27-20(12)17-9-10-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)
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n/an/a 90n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as ATP cunsumption


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
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