BDBM50106829 BMS-196085::CHEMBL322862::N-(5-((R)-2-((R)-1-(4-(difluoromethoxy)phenyl)-2-phenylethylamino)-1-hydroxyethyl)-2-hydroxyphenyl)methanesulfonamide::N-(5-{(R)-2-[(R)-1-(4-Difluoromethoxy-phenyl)-2-phenyl-ethylamino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulfonamide

SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1

InChI Key InChIKey=XWLVOJZVWRCRMD-OFNKIYASSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50106829   

TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50106829(BMS-196085 | CHEMBL322862 | N-(5-((R)-2-((R)-1-(4-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H26F2N2O5S/c1-34(31,32)28-21-14-18(9-12-22(21)29)23(30)15-27-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)33-24(25)26/h2-12,14,20,23-24,27-30H,13,15H2,1H3/t20-,23+/m1/s1
Affinity DataKi:  21nMAssay Description:Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindololMore data for this Ligand-Target Pair
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50106829(BMS-196085 | CHEMBL322862 | N-(5-((R)-2-((R)-1-(4-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H26F2N2O5S/c1-34(31,32)28-21-14-18(9-12-22(21)29)23(30)15-27-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)33-24(25)26/h2-12,14,20,23-24,27-30H,13,15H2,1H3/t20-,23+/m1/s1
Affinity DataKi:  21nMAssay Description:Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetBeta-3 adrenergic receptor(Mus musculus)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50106829(BMS-196085 | CHEMBL322862 | N-(5-((R)-2-((R)-1-(4-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H26F2N2O5S/c1-34(31,32)28-21-14-18(9-12-22(21)29)23(30)15-27-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)33-24(25)26/h2-12,14,20,23-24,27-30H,13,15H2,1H3/t20-,23+/m1/s1
Affinity DataKi:  4.00E+3nMAssay Description:Tested for binding affinity to murine Beta-3 adrenergic receptorMore data for this Ligand-Target Pair