BDBM50244617 (2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(3-(trifluoromethyl)phenylsulfonyl)butanamide::CHEMBL455642

SMILES: O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12

InChI Key: InChIKey=ZHUFUDYDQPNLAL-UBFVSLLYSA-N

Data: 2 KI  3 IC50

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 5 hits for monomerid = 50244617   

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
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50244617 ((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...) Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human B1 receptor				J Med Chem 54: 7232-46 (2011) Article DOI: 10.1021/jm200808v BindingDB Entry DOI: 10.7270/Q28C9WP1
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50244617 ((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...) Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells				Bioorg Med Chem Lett 18: 4764-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.108 BindingDB Entry DOI: 10.7270/Q29C6X87
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Oryctolagus cuniculus)	BDBM50244617 ((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...) Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of rabbit B1 receptor by cellular calcium flux assay				J Med Chem 54: 7232-46 (2011) Article DOI: 10.1021/jm200808v BindingDB Entry DOI: 10.7270/Q28C9WP1
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Oryctolagus cuniculus)	BDBM50244617 ((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...) Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at rabbit bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells by aquerin based assay				Bioorg Med Chem Lett 18: 4764-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.108 BindingDB Entry DOI: 10.7270/Q29C6X87
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50244617 ((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...) Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells by aquerin based assay				Bioorg Med Chem Lett 18: 4764-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.108 BindingDB Entry DOI: 10.7270/Q29C6X87
					More data for this Ligand-Target Pair