BDBM50142954 4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-methyl-quinolin-8-yloxymethyl)-phenyl]-1H-pyrrol-2-ylmethyl}-carbamoyl)-vinyl]-N,N-dimethyl-benzamide; dihydrochloride::CHEMBL538233

SMILES: CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnc3)c2Cl)cc1

InChI Key: InChIKey=MESWIKFMVZMDSV-LFIBNONCSA-N

Data: 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 3 hits for monomerid = 50142954   

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
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50142954 (4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-me...) Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnc3)c2Cl)cc1 Show InChI InChI=1S/C37H32Cl2N6O3/c1-24-20-32(44-19-17-40-23-44)28-7-4-8-33(36(28)42-24)48-22-29-30(38)14-15-31(35(29)39)45-18-5-6-27(45)21-41-34(46)16-11-25-9-12-26(13-10-25)37(47)43(2)3/h4-20,23H,21-22H2,1-3H3,(H,41,46)/b16-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand				J Med Chem 47: 1617-30 (2004) Article DOI: 10.1021/jm030159x BindingDB Entry DOI: 10.7270/Q2P55P89
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50142954 (4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-me...) Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnc3)c2Cl)cc1 Show InChI InChI=1S/C37H32Cl2N6O3/c1-24-20-32(44-19-17-40-23-44)28-7-4-8-33(36(28)42-24)48-22-29-30(38)14-15-31(35(29)39)45-18-5-6-27(45)21-41-34(46)16-11-25-9-12-26(13-10-25)37(47)43(2)3/h4-20,23H,21-22H2,1-3H3,(H,41,46)/b16-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant bradykinin B2 receptor expressed in CHO cells incubated for 2 hrs by liquid scintillation count...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.064
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50142954 (4-[(E)-2-({1-[2,4-Dichloro-3-(4-imidazol-1-yl-2-me...) Show SMILES CN(C)C(=O)c1ccc(\C=C\C(=O)NCc2cccn2-c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)-n3ccnc3)c2Cl)cc1 Show InChI InChI=1S/C37H32Cl2N6O3/c1-24-20-32(44-19-17-40-23-44)28-7-4-8-33(36(28)42-24)48-22-29-30(38)14-15-31(35(29)39)45-18-5-6-27(45)21-41-34(46)16-11-25-9-12-26(13-10-25)37(47)43(2)3/h4-20,23H,21-22H2,1-3H3,(H,41,46)/b16-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as a radioligand in guinea pig ileum membrane preparation				J Med Chem 47: 1617-30 (2004) Article DOI: 10.1021/jm030159x BindingDB Entry DOI: 10.7270/Q2P55P89
					More data for this Ligand-Target Pair