BDBM50182174 4-[7-bromo-3-(2-fluoro-5-nitro-benzyl)-3H-benzoimidazole-5-sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine::CHEMBL381097

SMILES: CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(Cc3cc(ccc3F)[N+]([O-])=O)c2c1)C(N)=N

InChI Key: InChIKey=DPOGHMDTOBNNGF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50182174   

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
Complement C1s (Homo sapiens (Human))	BDBM50182174 (4-[7-bromo-3-(2-fluoro-5-nitro-benzyl)-3H-benzoimi...) Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Br)c2ncn(Cc3cc(ccc3F)[N+]([O-])=O)c2c1)C(N)=N Show InChI InChI=1S/C20H15BrFN5O4S3/c1-32-20-17(7-16(33-20)19(23)24)34(30,31)12-5-13(21)18-15(6-12)26(9-25-18)8-10-4-11(27(28)29)2-3-14(10)22/h2-7,9H,8H2,1H3,(H3,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of C1S				Bioorg Med Chem Lett 16: 2200-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.036 BindingDB Entry DOI: 10.7270/Q2251HSV
					More data for this Ligand-Target Pair