BDBM50370082 CHEMBL1907655

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

InChI Key: InChIKey=TXAIJGBKZYHAII-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 = 50370082   

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))	BDBM50370082 (CHEMBL1907655) Show SMILES NC(=O)C1CCCN1S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC2Cc3ccccc3Cc3ccccc23)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H28N6O5S2/c28-26(34)24-10-5-13-32(24)40(37,38)20-11-12-22(25(16-20)33(35)36)30-31-27(39)29-23-15-18-7-2-1-6-17(18)14-19-8-3-4-9-21(19)23/h1-4,6-9,11-12,16,23-24,30H,5,10,13-15H2,(H4,28,29,31,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	299	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)	BDBM50370082 (CHEMBL1907655) Show SMILES NC(=O)C1CCCN1S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC2Cc3ccccc3Cc3ccccc23)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H28N6O5S2/c28-26(34)24-10-5-13-32(24)40(37,38)20-11-12-22(25(16-20)33(35)36)30-31-27(39)29-23-15-18-7-2-1-6-17(18)14-19-8-3-4-9-21(19)23/h1-4,6-9,11-12,16,23-24,30H,5,10,13-15H2,(H4,28,29,31,34,39)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	654	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