BDBM50419918 CHEMBL1956719

SMILES: [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#8]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])c2n1

InChI Key: InChIKey=KUTHJKKCCLLPIU-MHZLTWQESA-N

Data: 2 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 2 hits for monomerid = 50419918   

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))	BDBM50419918 (CHEMBL1956719) Show SMILES [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#8]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])c2n1 |r| Show InChI InChI=1S/C35H46Cl2N8O6S/c1-22-20-23(2)42-31-24(22)6-5-8-28(31)51-21-25-26(36)9-10-29(30(25)37)52(48,49)43-35(11-18-50-19-12-35)33(47)45-16-14-44(15-17-45)32(46)27(38)7-3-4-13-41-34(39)40/h5-6,8-10,20,27,43H,3-4,7,11-19,21,38H2,1-2H3,(H4,39,40,41)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	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))	BDBM50419918 (CHEMBL1956719) Show SMILES [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#8]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])c2n1 |r| Show InChI InChI=1S/C35H46Cl2N8O6S/c1-22-20-23(2)42-31-24(22)6-5-8-28(31)51-21-25-26(36)9-10-29(30(25)37)52(48,49)43-35(11-18-50-19-12-35)33(47)45-16-14-44(15-17-45)32(46)27(38)7-3-4-13-41-34(39)40/h5-6,8-10,20,27,43H,3-4,7,11-19,21,38H2,1-2H3,(H4,39,40,41)/t27-/m0/s1	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