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Compile Data Set for Download or QSAR

Found 263 hits with Last Name = 'leith' and Initial = 'l'   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122692
PNG
(CHEMBL282336 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H27F3N4O5S/c1-19-20(2)36-43-29(19)37-44(40,41)27-7-5-4-6-26(27)25-13-10-22(30-35-14-15-42-30)17-23(25)18-38(3)28(39)16-21-8-11-24(12-9-21)31(32,33)34/h4-15,17,37H,16,18H2,1-3H3
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0.00100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122693
PNG
(CHEMBL29346 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C31H30N4O5S/c1-21-22(2)33-40-30(21)34-41(37,38)28-12-8-7-11-27(28)26-15-14-24(31-32-17-18-39-31)19-25(26)20-35(3)29(36)16-13-23-9-5-4-6-10-23/h4-12,14-15,17-19,34H,13,16,20H2,1-3H3
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0.00400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122706
PNG
(2'-(3-Methyl-2-oxo-imidazolidin-1-ylmethyl)-4'-oxa...)
Show SMILES CN1CCN(Cc2cc(ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)-c2ncco2)C1=O
Show InChI InChI=1S/C25H25N5O5S/c1-16-17(2)27-35-23(16)28-36(32,33)22-7-5-4-6-21(22)20-9-8-18(24-26-10-13-34-24)14-19(20)15-30-12-11-29(3)25(30)31/h4-10,13-14,28H,11-12,15H2,1-3H3
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0.00400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122694
PNG
(2'-(3,3-Dimethyl-2-oxo-pyrrolidin-1-ylmethyl)-4'-o...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CN2CCC(C)(C)C2=O)-c2ncco2)c1C
Show InChI InChI=1S/C27H28N4O5S/c1-17-18(2)29-36-24(17)30-37(33,34)23-8-6-5-7-22(23)21-10-9-19(25-28-12-14-35-25)15-20(21)16-31-13-11-27(3,4)26(31)32/h5-10,12,14-15,30H,11,13,16H2,1-4H3
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0.00500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122686
PNG
(1-Methyl-1H-indole-2-carboxylic acid [2'-(3,4-dime...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C32H29N5O5S/c1-20-21(2)34-42-30(20)35-43(39,40)29-12-8-6-10-26(29)25-14-13-23(31-33-15-16-41-31)17-24(25)19-36(3)32(38)28-18-22-9-5-7-11-27(22)37(28)4/h5-18,35H,19H2,1-4H3
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0.00500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122715
PNG
(3,5-Dichloro-N-[2'-(3,4-dimethyl-isoxazol-5-ylsulf...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C29H24Cl2N4O5S/c1-17-18(2)33-40-27(17)34-41(37,38)26-7-5-4-6-25(26)24-9-8-19(28-32-10-11-39-28)12-21(24)16-35(3)29(36)20-13-22(30)15-23(31)14-20/h4-15,34H,16H2,1-3H3
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0.00900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122712
PNG
(CHEMBL440780 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C30H28N4O5S/c1-20-21(2)32-39-29(20)33-40(36,37)27-12-8-7-11-26(27)25-14-13-23(30-31-15-16-38-30)18-24(25)19-34(3)28(35)17-22-9-5-4-6-10-22/h4-16,18,33H,17,19H2,1-3H3
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0.0100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122676
PNG
(CHEMBL274489 | N-[2'-(4,5-Dimethyl-isoxazol-3-ylsu...)
Show SMILES CN(C(=O)CC(C)(C)C)c1cc(ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C)-c1ncco1
Show InChI InChI=1S/C27H30N4O5S/c1-17-18(2)36-29-25(17)30-37(33,34)23-10-8-7-9-21(23)20-12-11-19(26-28-13-14-35-26)15-22(20)31(6)24(32)16-27(3,4)5/h7-15H,16H2,1-6H3,(H,29,30)
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0.0100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122697
PNG
(2'-[(Methyl-phenyl-amino)-methyl]-4'-oxazol-2-yl-b...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)c1ccccc1
Show InChI InChI=1S/C28H26N4O4S/c1-19-20(2)30-36-27(19)31-37(33,34)26-12-8-7-11-25(26)24-14-13-21(28-29-15-16-35-28)17-22(24)18-32(3)23-9-5-4-6-10-23/h4-17,31H,18H2,1-3H3
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122700
PNG
(4'-Oxazol-2-yl-2'-(3-trifluoromethyl-pyrazol-1-ylm...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2Cn2ccc(n2)C(F)(F)F)-c2ncco2)c1C
Show InChI InChI=1S/C25H20F3N5O4S/c1-15-16(2)31-37-23(15)32-38(34,35)21-6-4-3-5-20(21)19-8-7-17(24-29-10-12-36-24)13-18(19)14-33-11-9-22(30-33)25(26,27)28/h3-13,32H,14H2,1-2H3
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122707
PNG
(CHEMBL281659 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C28H32N4O5S/c1-18-19(2)30-37-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5/h7-15,31H,16-17H2,1-6H3
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122681
PNG
(CHEMBL27855 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)C(C)(C)C
Show InChI InChI=1S/C27H30N4O5S/c1-17-18(2)29-36-24(17)30-37(33,34)23-10-8-7-9-22(23)21-12-11-19(25-28-13-14-35-25)15-20(21)16-31(6)26(32)27(3,4)5/h7-15,30H,16H2,1-6H3
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0.0300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122713
PNG
(CHEMBL282359 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H26N4O5S/c1-19-20(2)31-38-27(19)32-39(35,36)26-12-8-7-11-25(26)24-14-13-22(28-30-15-16-37-28)17-23(24)18-33(3)29(34)21-9-5-4-6-10-21/h4-17,32H,18H2,1-3H3
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0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122698
PNG
(CHEMBL28863 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(C)C(=O)N(C)Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
Show InChI InChI=1S/C26H28N4O5S/c1-16(2)26(31)30(5)15-20-14-19(25-27-12-13-34-25)10-11-21(20)22-8-6-7-9-23(22)36(32,33)29-24-17(3)18(4)28-35-24/h6-14,16,29H,15H2,1-5H3
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0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122684
PNG
(2'-(4,4-Dimethyl-2-oxo-pyrrolidin-1-ylmethyl)-4'-o...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CN2CC(C)(C)CC2=O)-c2ncco2)c1C
Show InChI InChI=1S/C27H28N4O5S/c1-17-18(2)29-36-25(17)30-37(33,34)23-8-6-5-7-22(23)21-10-9-19(26-28-11-12-35-26)13-20(21)15-31-16-27(3,4)14-24(31)32/h5-13,30H,14-16H2,1-4H3
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0.0450n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122690
PNG
(CHEMBL28963 | N-Cyclopropyl-N-[2'-(3,4-dimethyl-is...)
Show SMILES CC(C)C(=O)N(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C1CC1
Show InChI InChI=1S/C28H30N4O5S/c1-17(2)28(33)32(22-10-11-22)16-21-15-20(27-29-13-14-36-27)9-12-23(21)24-7-5-6-8-25(24)38(34,35)31-26-18(3)19(4)30-37-26/h5-9,12-15,17,22,31H,10-11,16H2,1-4H3
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122696
PNG
(CHEMBL281549 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)CC(F)(F)F
Show InChI InChI=1S/C25H23F3N4O5S/c1-15-16(2)30-37-23(15)31-38(34,35)21-7-5-4-6-20(21)19-9-8-17(24-29-10-11-36-24)12-18(19)14-32(3)22(33)13-25(26,27)28/h4-12,31H,13-14H2,1-3H3
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122703
PNG
(2'-[(5-Methyl-isoxazol-3-ylamino)-methyl]-4'-oxazo...)
Show SMILES Cc1cc(NCc2cc(ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)-c2ncco2)no1
Show InChI InChI=1S/C25H23N5O5S/c1-15-12-23(29-34-15)27-14-19-13-18(25-26-10-11-33-25)8-9-20(19)21-6-4-5-7-22(21)36(31,32)30-24-16(2)17(3)28-35-24/h4-13,30H,14H2,1-3H3,(H,27,29)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122711
PNG
(4'-Oxazol-2-yl-2'-(pyrimidin-4-ylaminomethyl)-biph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CNc2ccncn2)-c2ncco2)c1C
Show InChI InChI=1S/C25H22N6O4S/c1-16-17(2)30-35-24(16)31-36(32,33)22-6-4-3-5-21(22)20-8-7-18(25-27-11-12-34-25)13-19(20)14-28-23-9-10-26-15-29-23/h3-13,15,31H,14H2,1-2H3,(H,26,28,29)
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122704
PNG
(2'-{[Methyl-(2,2,2-trifluoro-ethyl)-amino]-methyl}...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)CC(F)(F)F
Show InChI InChI=1S/C24H23F3N4O4S/c1-15-16(2)29-35-22(15)30-36(32,33)21-7-5-4-6-20(21)19-9-8-17(23-28-10-11-34-23)12-18(19)13-31(3)14-24(25,26)27/h4-12,30H,13-14H2,1-3H3
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091104
PNG
(CHEMBL29422 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(=O)NCc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
Show InChI InChI=1S/C23H22N4O5S/c1-14-15(2)26-32-22(14)27-33(29,30)21-7-5-4-6-20(21)19-9-8-17(23-24-10-11-31-23)12-18(19)13-25-16(3)28/h4-12,27H,13H2,1-3H3,(H,25,28)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091104
PNG
(CHEMBL29422 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(=O)NCc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
Show InChI InChI=1S/C23H22N4O5S/c1-14-15(2)26-32-22(14)27-33(29,30)21-7-5-4-6-20(21)19-9-8-17(23-24-10-11-31-23)12-18(19)13-25-16(3)28/h4-12,27H,13H2,1-3H3,(H,25,28)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122710
PNG
(CHEMBL284656 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsu...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(C)=O
Show InChI InChI=1S/C24H24N4O5S/c1-15-16(2)26-33-23(15)27-34(30,31)22-8-6-5-7-21(22)20-10-9-18(24-25-11-12-32-24)13-19(20)14-28(4)17(3)29/h5-13,27H,14H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122678
PNG
(2'-Isobutoxymethyl-4'-oxazol-2-yl-biphenyl-2-sulfo...)
Show SMILES CC(C)COCc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
Show InChI InChI=1S/C25H27N3O5S/c1-16(2)14-31-15-20-13-19(25-26-11-12-32-25)9-10-21(20)22-7-5-6-8-23(22)34(29,30)28-24-17(3)18(4)27-33-24/h5-13,16,28H,14-15H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122699
PNG
(2'-Imidazol-1-ylmethyl-4'-oxazol-2-yl-biphenyl-2-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2Cn2ccnc2)-c2ncco2)c1C
Show InChI InChI=1S/C24H21N5O4S/c1-16-17(2)27-33-23(16)28-34(30,31)22-6-4-3-5-21(22)20-8-7-18(24-26-10-12-32-24)13-19(20)14-29-11-9-25-15-29/h3-13,15,28H,14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122680
PNG
(4'-Oxazol-2-yl-2'-pyrazol-1-ylmethyl-biphenyl-2-su...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2Cn2cccn2)-c2ncco2)c1C
Show InChI InChI=1S/C24H21N5O4S/c1-16-17(2)27-33-23(16)28-34(30,31)22-7-4-3-6-21(22)20-9-8-18(24-25-11-13-32-24)14-19(20)15-29-12-5-10-26-29/h3-14,28H,15H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122689
PNG
(2'-(3,3-Dimethyl-2-oxo-piperidin-1-ylmethyl)-4'-ox...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CN2CCCC(C)(C)C2=O)-c2ncco2)c1C
Show InChI InChI=1S/C28H30N4O5S/c1-18-19(2)30-37-25(18)31-38(34,35)24-9-6-5-8-23(24)22-11-10-20(26-29-13-15-36-26)16-21(22)17-32-14-7-12-28(3,4)27(32)33/h5-6,8-11,13,15-16,31H,7,12,14,17H2,1-4H3
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0.390n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122679
PNG
(CHEMBL29775 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(C)N(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(C)=O
Show InChI InChI=1S/C26H28N4O5S/c1-16(2)30(19(5)31)15-21-14-20(26-27-12-13-34-26)10-11-22(21)23-8-6-7-9-24(23)36(32,33)29-25-17(3)18(4)28-35-25/h6-14,16,29H,15H2,1-5H3
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122705
PNG
(2-Cyclohexyl-N-[2'-(3,4-dimethyl-isoxazol-5-ylsulf...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)CC1CCCCC1
Show InChI InChI=1S/C30H34N4O5S/c1-20-21(2)32-39-29(20)33-40(36,37)27-12-8-7-11-26(27)25-14-13-23(30-31-15-16-38-30)18-24(25)19-34(3)28(35)17-22-9-5-4-6-10-22/h7-8,11-16,18,22,33H,4-6,9-10,17,19H2,1-3H3
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0.440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091101
PNG
(4'-Oxazol-4-yl-biphenyl-2-sulfonic acid (3,4-dimet...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2cocn2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-20(13)23-28(24,25)19-6-4-3-5-17(19)15-7-9-16(10-8-15)18-11-26-12-21-18/h3-12,23H,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122695
PNG
(CHEMBL29710 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)Cc1ccccn1
Show InChI InChI=1S/C29H27N5O5S/c1-19-20(2)32-39-28(19)33-40(36,37)26-10-5-4-9-25(26)24-12-11-21(29-31-14-15-38-29)16-22(24)18-34(3)27(35)17-23-8-6-7-13-30-23/h4-16,33H,17-18H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122708
PNG
(2'-Isopropoxymethyl-4'-oxazol-2-yl-biphenyl-2-sulf...)
Show SMILES CC(C)OCc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
Show InChI InChI=1S/C24H25N3O5S/c1-15(2)31-14-19-13-18(24-25-11-12-30-24)9-10-20(19)21-7-5-6-8-22(21)33(28,29)27-23-16(3)17(4)26-32-23/h5-13,15,27H,14H2,1-4H3
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122702
PNG
(CHEMBL30215 | N-tert-Butyl-2-[2'-(3,4-dimethyl-iso...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CC(=O)NC(C)(C)C)-c2ncco2)c1C
Show InChI InChI=1S/C26H28N4O5S/c1-16-17(2)29-35-24(16)30-36(32,33)22-9-7-6-8-21(22)20-11-10-18(25-27-12-13-34-25)14-19(20)15-23(31)28-26(3,4)5/h6-14,30H,15H2,1-5H3,(H,28,31)
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122687
PNG
(4'-Oxazol-2-yl-2'-oxazol-2-ylmethyl-biphenyl-2-sul...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2Cc2ncco2)-c2ncco2)c1C
Show InChI InChI=1S/C24H20N4O5S/c1-15-16(2)27-33-23(15)28-34(29,30)21-6-4-3-5-20(21)19-8-7-17(24-26-10-12-32-24)13-18(19)14-22-25-9-11-31-22/h3-13,28H,14H2,1-2H3
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0.75n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122677
PNG
(4'-Oxazol-2-yl-2'-[(2,2,2-trifluoro-ethylamino)-me...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CNCC(F)(F)F)-c2ncco2)c1C
Show InChI InChI=1S/C23H21F3N4O4S/c1-14-15(2)29-34-21(14)30-35(31,32)20-6-4-3-5-19(20)18-8-7-16(22-28-9-10-33-22)11-17(18)12-27-13-23(24,25)26/h3-11,27,30H,12-13H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM18162
PNG
((1R,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4-diazatri...)
Show SMILES Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)|
Show InChI InChI=1S/C18H15N3O4/c22-17-16-10-5-6-11(9-10)19(16)18(23)20(17)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-4,7-8,10-11,22H,5-6,9H2/t10-,11+/m0/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells


Bioorg Med Chem Lett 14: 6107-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122709
PNG
(2-[2'-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-4-oxaz...)
Show SMILES CN(C)C(=O)Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
Show InChI InChI=1S/C24H24N4O5S/c1-15-16(2)26-33-23(15)27-34(30,31)21-8-6-5-7-20(21)19-10-9-17(24-25-11-12-32-24)13-18(19)14-22(29)28(3)4/h5-13,27H,14H2,1-4H3
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122683
PNG
(4'-Oxazol-2-yl-2'-phenoxymethyl-biphenyl-2-sulfoni...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2COc2ccccc2)-c2ncco2)c1C
Show InChI InChI=1S/C27H23N3O5S/c1-18-19(2)29-35-26(18)30-36(31,32)25-11-7-6-10-24(25)23-13-12-20(27-28-14-15-33-27)16-21(23)17-34-22-8-4-3-5-9-22/h3-16,30H,17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091105
PNG
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091105
PNG
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122682
PNG
(4'-Oxazol-2-yl-2'-styryl-biphenyl-2-sulfonic acid ...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2\C=C/c2ccccc2)-c2ncco2)c1C
Show InChI InChI=1S/C28H23N3O4S/c1-19-20(2)30-35-27(19)31-36(32,33)26-11-7-6-10-25(26)24-15-14-23(28-29-16-17-34-28)18-22(24)13-12-21-8-4-3-5-9-21/h3-18,31H,1-2H3/b13-12-
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091108
PNG
(4'-(4-Methyl-oxazol-2-yl)-biphenyl-2-sulfonic acid...)
Show SMILES Cc1coc(n1)-c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H19N3O4S/c1-13-12-27-21(22-13)17-10-8-16(9-11-17)18-6-4-5-7-19(18)29(25,26)24-20-14(2)15(3)23-28-20/h4-12,24H,1-3H3
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122701
PNG
(4'-Oxazol-2-yl-2'-styryl-biphenyl-2-sulfonic acid ...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2\C=C\c2ccccc2)-c2ncco2)c1C
Show InChI InChI=1S/C28H23N3O4S/c1-19-20(2)30-35-27(19)31-36(32,33)26-11-7-6-10-25(26)24-15-14-23(28-29-16-17-34-28)18-22(24)13-12-21-8-4-3-5-9-21/h3-18,31H,1-2H3/b13-12+
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091109
PNG
(4'-Oxazol-5-yl-biphenyl-2-sulfonic acid (3,4-dimet...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2cnco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-20(13)23-28(24,25)19-6-4-3-5-17(19)15-7-9-16(10-8-15)18-11-21-12-26-18/h3-12,23H,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50068674
PNG
(2'-Amino-4'-isobutyl-biphenyl-2-sulfonic acid (3,4...)
Show SMILES CC(C)Cc1ccc(c(N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C21H25N3O3S/c1-13(2)11-16-9-10-17(19(22)12-16)18-7-5-6-8-20(18)28(25,26)24-21-14(3)15(4)23-27-21/h5-10,12-13,24H,11,22H2,1-4H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50091106
PNG
(4'-(5-Methyl-oxazol-4-yl)-biphenyl-2-sulfonic acid...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncoc2C)c1C
Show InChI InChI=1S/C21H19N3O4S/c1-13-14(2)23-28-21(13)24-29(25,26)19-7-5-4-6-18(19)16-8-10-17(11-9-16)20-15(3)27-12-22-20/h4-12,24H,1-3H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Human Endothelin A receptor expressed in CHO Cells.


J Med Chem 43: 3111-7 (2000)


BindingDB Entry DOI: 10.7270/Q2DF6QFM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50156515
PNG
((1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)...)
Show SMILES Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C16H13F3N2O4/c17-16(18,19)10-6-9(3-4-11(10)21(24)25)20-14(22)12-7-1-2-8(5-7)13(12)15(20)23/h3-4,6-8,22-23H,1-2,5H2/t7-,8+
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells


Bioorg Med Chem Lett 14: 6107-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.049
BindingDB Entry DOI: 10.7270/Q2T1533W
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122691
PNG
(CHEMBL29502 | N-[2'-(3,4-Dimethyl-isoxazol-5-ylsul...)
Show SMILES CC(C)N(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)C(=O)C(C)(C)C
Show InChI InChI=1S/C29H34N4O5S/c1-18(2)33(28(34)29(5,6)7)17-22-16-21(27-30-14-15-37-27)12-13-23(22)24-10-8-9-11-25(24)39(35,36)32-26-19(3)20(4)31-38-26/h8-16,18,32H,17H2,1-7H3
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50061101
PNG
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50122714
PNG
(2'-[(Isobutyl-methyl-amino)-methyl]-4'-oxazol-2-yl...)
Show SMILES CC(C)CN(C)Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1
Show InChI InChI=1S/C26H30N4O4S/c1-17(2)15-30(5)16-21-14-20(26-27-12-13-33-26)10-11-22(21)23-8-6-7-9-24(23)35(31,32)29-25-18(3)19(4)28-34-25/h6-14,17,29H,15-16H2,1-5H3
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8.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair
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