BDBM50112082 4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine::CHEMBL46780

SMILES: Cn1c(Cc2ccc(cc2)C(N)=N)nc2cc(NS(=O)(=O)c3ccccc3)ccc12

InChI Key: InChIKey=MEUAVGJWGDPTLF-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50112082   

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
Prothrombin (Homo sapiens (Human))	BDBM50112082 (4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazo...) Show SMILES Cn1c(Cc2ccc(cc2)C(N)=N)nc2cc(NS(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C22H21N5O2S/c1-27-20-12-11-17(26-30(28,29)18-5-3-2-4-6-18)14-19(20)25-21(27)13-15-7-9-16(10-8-15)22(23)24/h2-12,14,26H,13H2,1H3,(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description In vitro inhibitory activity against thrombin in human plasma				Bioorg Med Chem Lett 13: 2291-5 (2003) BindingDB Entry DOI: 10.7270/Q2QJ7GP2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50112082 (4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazo...) Show SMILES Cn1c(Cc2ccc(cc2)C(N)=N)nc2cc(NS(=O)(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C22H21N5O2S/c1-27-20-12-11-17(26-30(28,29)18-5-3-2-4-6-18)14-19(20)25-21(27)13-15-7-9-16(10-8-15)22(23)24/h2-12,14,26H,13H2,1H3,(H3,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibition of human thrombin by chromogenic assay				J Med Chem 45: 1757-66 (2002) BindingDB Entry DOI: 10.7270/Q2GX49W5
					More data for this Ligand-Target Pair				3D Structure (crystal)