BDBM50126234 CHEMBL27461::N-[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-3-[1-methyl-5-(thiophene-2-carbonyl)-1H-pyrrol-2-yl]-propionamide

SMILES: CN(C(=O)CCc1ccc(C(=O)c2cccs2)n1C)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C

InChI Key: InChIKey=OTBOZLXKDXMAJF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50126234   

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
BDKRB2 (Homo sapiens (Human))	BDBM50126234 (CHEMBL27461 | N-[2,4-Dimethyl-3-(2-methyl-quinolin...) Show SMILES CN(C(=O)CCc1ccc(C(=O)c2cccs2)n1C)c1ccc(C)c(COc2cccc3ccc(C)nc23)c1C Show InChI InChI=1S/C33H33N3O3S/c1-21-11-16-27(23(3)26(21)20-39-29-9-6-8-24-13-12-22(2)34-32(24)29)36(5)31(37)18-15-25-14-17-28(35(25)4)33(38)30-10-7-19-40-30/h6-14,16-17,19H,15,18,20H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human bradykinin receptor B2				Bioorg Med Chem Lett 13: 1341-4 (2003) BindingDB Entry DOI: 10.7270/Q2HM57T1
					More data for this Ligand-Target Pair