BDBM50419919 CHEMBL1956721

SMILES: Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCC[N+](C)(C)C)c2n1

InChI Key: InChIKey=KMASLSQIKWDMSV-UHFFFAOYSA-N

Data: 2 KI  1 Kd

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 = 50419919   

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))	BDBM50419919 (CHEMBL1956721) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C35H46Cl2N5O6S/c1-24-22-25(2)38-33-26(24)8-6-9-29(33)48-23-27-28(36)11-12-30(32(27)37)49(45,46)39-35(13-20-47-21-14-35)34(44)41-17-15-40(16-18-41)31(43)10-7-19-42(3,4)5/h6,8-9,11-12,22,39H,7,10,13-21,23H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50419919 (CHEMBL1956721) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C35H46Cl2N5O6S/c1-24-22-25(2)38-33-26(24)8-6-9-29(33)48-23-27-28(36)11-12-30(32(27)37)49(45,46)39-35(13-20-47-21-14-35)34(44)41-17-15-40(16-18-41)31(43)10-7-19-42(3,4)5/h6,8-9,11-12,22,39H,7,10,13-21,23H2,1-5H3/q+1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H][desArg9]Lys-Bradykinin from human bradykinin B1 receptor expressed in CHO cells				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair
BDKRB2 (Homo sapiens (Human))	BDBM50419919 (CHEMBL1956721) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C35H46Cl2N5O6S/c1-24-22-25(2)38-33-26(24)8-6-9-29(33)48-23-27-28(36)11-12-30(32(27)37)49(45,46)39-35(13-20-47-21-14-35)34(44)41-17-15-40(16-18-41)31(43)10-7-19-42(3,4)5/h6,8-9,11-12,22,39H,7,10,13-21,23H2,1-5H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B2 receptor expressed in dhfr-deficient CHO cells assessed as inhibition of bradykinin-induced inositol monop...				Bioorg Med Chem 20: 2091-100 (2012) Article DOI: 10.1016/j.bmc.2012.01.036 BindingDB Entry DOI: 10.7270/Q2PN96WX
					More data for this Ligand-Target Pair