BDBM50419908 CHEMBL1956857

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

InChI Key: InChIKey=TVEQPXYOAXUEOG-MHZLTWQESA-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 = 50419908   

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))	BDBM50419908 (CHEMBL1956857) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCCN)c2n1 |r| Show InChI InChI=1S/C34H44Cl2N6O6S/c1-22-20-23(2)39-31-24(22)6-5-8-28(31)48-21-25-26(35)9-10-29(30(25)36)49(45,46)40-34(11-18-47-19-12-34)33(44)42-16-14-41(15-17-42)32(43)27(38)7-3-4-13-37/h5-6,8-10,20,27,40H,3-4,7,11-19,21,37-38H2,1-2H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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))	BDBM50419908 (CHEMBL1956857) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCCN)c2n1 |r| Show InChI InChI=1S/C34H44Cl2N6O6S/c1-22-20-23(2)39-31-24(22)6-5-8-28(31)48-21-25-26(35)9-10-29(30(25)36)49(45,46)40-34(11-18-47-19-12-34)33(44)42-16-14-41(15-17-42)32(43)27(38)7-3-4-13-37/h5-6,8-10,20,27,40H,3-4,7,11-19,21,37-38H2,1-2H3/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
BDKRB2 (Homo sapiens (Human))	BDBM50419908 (CHEMBL1956857) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCCN)c2n1 |r| Show InChI InChI=1S/C34H44Cl2N6O6S/c1-22-20-23(2)39-31-24(22)6-5-8-28(31)48-21-25-26(35)9-10-29(30(25)36)49(45,46)40-34(11-18-47-19-12-34)33(44)42-16-14-41(15-17-42)32(43)27(38)7-3-4-13-37/h5-6,8-10,20,27,40H,3-4,7,11-19,21,37-38H2,1-2H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.398	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