BDBM50370080 CHEMBL1907656

SMILES: CN(C)CCN(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC2Cc3ccccc3Cc3ccccc23)c(c1)[N+]([O-])=O

InChI Key: InChIKey=LVIGTHHCXYMQRO-UHFFFAOYSA-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 = 50370080   

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))	BDBM50370080 (CHEMBL1907656) Show SMILES CN(C)CCN(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC2Cc3ccccc3Cc3ccccc23)c(c1)[N+]([O-])=O Show InChI InChI=1S/C34H44N8O5S2/c1-39(2)19-20-40(3)18-16-35-33(43)31-13-8-17-41(31)49(46,47)27-14-15-29(32(23-27)42(44)45)37-38-34(48)36-30-22-25-10-5-4-9-24(25)21-26-11-6-7-12-28(26)30/h4-7,9-12,14-15,23,30-31,37H,8,13,16-22H2,1-3H3,(H3,35,36,38,43,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]BK (1 nM) from human Bradykinin receptor B2 expressed in Cos-7 cells				J Med Chem 45: 2160-72 (2002) BindingDB Entry DOI: 10.7270/Q2X067SG
					More data for this Ligand-Target Pair
BDKRB2 (RAT)	BDBM50370080 (CHEMBL1907656) Show SMILES CN(C)CCN(C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC2Cc3ccccc3Cc3ccccc23)c(c1)[N+]([O-])=O Show InChI InChI=1S/C34H44N8O5S2/c1-39(2)19-20-40(3)18-16-35-33(43)31-13-8-17-41(31)49(46,47)27-14-15-29(32(23-27)42(44)45)37-38-34(48)36-30-22-25-10-5-4-9-24(25)21-26-11-6-7-12-28(26)30/h4-7,9-12,14-15,23,30-31,37H,8,13,16-22H2,1-3H3,(H3,35,36,38,43,48)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK (1 nM) to rat Bradykinin receptor B2 by 50% in NG108-15 cell membranes				J Med Chem 45: 2160-72 (2002) BindingDB Entry DOI: 10.7270/Q2X067SG
					More data for this Ligand-Target Pair