BDBM50419914 CHEMBL1956851

SMILES: Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CCCC4)CC3)c2n1

InChI Key: InChIKey=DUIOXJFRENCWMX-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 = 50419914   

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))	BDBM50419914 (CHEMBL1956851) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CCCC4)CC3)c2n1 Show InChI InChI=1S/C32H39Cl2N4O5S/c1-22-20-23(2)35-30-24(22)6-5-7-27(30)43-21-25-26(33)8-9-28(29(25)34)44(40,41)36-32(10-18-42-19-11-32)31(39)37-12-16-38(17-13-37)14-3-4-15-38/h5-9,20,36H,3-4,10-19,21H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	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))	BDBM50419914 (CHEMBL1956851) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CCCC4)CC3)c2n1 Show InChI InChI=1S/C32H39Cl2N4O5S/c1-22-20-23(2)35-30-24(22)6-5-7-27(30)43-21-25-26(33)8-9-28(29(25)34)44(40,41)36-32(10-18-42-19-11-32)31(39)37-12-16-38(17-13-37)14-3-4-15-38/h5-9,20,36H,3-4,10-19,21H2,1-2H3/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))	BDBM50419914 (CHEMBL1956851) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CCCC4)CC3)c2n1 Show InChI InChI=1S/C32H39Cl2N4O5S/c1-22-20-23(2)35-30-24(22)6-5-7-27(30)43-21-25-26(33)8-9-28(29(25)34)44(40,41)36-32(10-18-42-19-11-32)31(39)37-12-16-38(17-13-37)14-3-4-15-38/h5-9,20,36H,3-4,10-19,21H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.16	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