BDBM50214220 CHEMBL251555::N-(5-((R)-3-((S)-1-(3,4-bis(difluoromethoxy)phenyl)-3-phenylpropylamino)-2-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O

InChI Key: InChIKey=GRSIQKKNSPHJED-RTWAWAEBSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50214220   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50214220 (CHEMBL251555 | N-(5-((R)-3-((S)-1-(3,4-bis(difluor...) Show SMILES CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O Show InChI InChI=1S/C27H30F4N2O6S/c1-40(36,37)33-22-14-18(8-11-23(22)35)13-20(34)16-32-21(10-7-17-5-3-2-4-6-17)19-9-12-24(38-26(28)29)25(15-19)39-27(30)31/h2-6,8-9,11-12,14-15,20-21,26-27,32-35H,7,10,13,16H2,1H3/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4290-6 (2007) Article DOI: 10.1016/j.bmcl.2007.05.030 BindingDB Entry DOI: 10.7270/Q2M61JZT
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50214220 (CHEMBL251555 | N-(5-((R)-3-((S)-1-(3,4-bis(difluor...) Show SMILES CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O Show InChI InChI=1S/C27H30F4N2O6S/c1-40(36,37)33-22-14-18(8-11-23(22)35)13-20(34)16-32-21(10-7-17-5-3-2-4-6-17)19-9-12-24(38-26(28)29)25(15-19)39-27(30)31/h2-6,8-9,11-12,14-15,20-21,26-27,32-35H,7,10,13,16H2,1H3/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4290-6 (2007) Article DOI: 10.1016/j.bmcl.2007.05.030 BindingDB Entry DOI: 10.7270/Q2M61JZT
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50214220 (CHEMBL251555 | N-(5-((R)-3-((S)-1-(3,4-bis(difluor...) Show SMILES CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O Show InChI InChI=1S/C27H30F4N2O6S/c1-40(36,37)33-22-14-18(8-11-23(22)35)13-20(34)16-32-21(10-7-17-5-3-2-4-6-17)19-9-12-24(38-26(28)29)25(15-19)39-27(30)31/h2-6,8-9,11-12,14-15,20-21,26-27,32-35H,7,10,13,16H2,1H3/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4290-6 (2007) Article DOI: 10.1016/j.bmcl.2007.05.030 BindingDB Entry DOI: 10.7270/Q2M61JZT
					More data for this Ligand-Target Pair