BDBM50182229 CHEMBL203174::N-((R)-6-((neopentylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide

SMILES: CC(C)(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=OMUFSZWZFHZFQQ-RPLLCQBOSA-N

Data: 2 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 2 hits for monomerid = 50182229   

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))	BDBM50182229 (CHEMBL203174 | N-((R)-6-((neopentylamino)methyl)-1...) Show SMILES CC(C)(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C30H40F3N3O3S/c1-29(2,3)20-34-19-21-13-14-26-22(16-21)8-6-12-27(26)35-28(37)18-24-10-4-5-15-36(24)40(38,39)25-11-7-9-23(17-25)30(31,32)33/h7,9,11,13-14,16-17,24,27,34H,4-6,8,10,12,15,18-20H2,1-3H3,(H,35,37)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50182229 (CHEMBL203174 | N-((R)-6-((neopentylamino)methyl)-1...) Show SMILES CC(C)(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C30H40F3N3O3S/c1-29(2,3)20-34-19-21-13-14-26-22(16-21)8-6-12-27(26)35-28(37)18-24-10-4-5-15-36(24)40(38,39)25-11-7-9-23(17-25)30(31,32)33/h7,9,11,13-14,16-17,24,27,34H,4-6,8,10,12,15,18-20H2,1-3H3,(H,35,37)/t24-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human B1 receptor by calcium influx functional assay				Bioorg Med Chem Lett 16: 2071-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.069 BindingDB Entry DOI: 10.7270/Q2SN08K7
					More data for this Ligand-Target Pair