BDBM50112081 CHEMBL51528::[[2-(4-Carbamimidoyl-phenoxymethyl)-1-methyl-1H-benzoimidazol-5-yl]-(quinoline-8-sulfonyl)-amino]-acetic acid

SMILES: Cn1c(COc2ccc(cc2)C(N)=N)nc2cc(ccc12)N(CC(O)=O)S(=O)(=O)c1cccc2cccnc12

InChI Key: InChIKey=FTLMXSZSTUXBFX-UHFFFAOYSA-N

Data: 2 IC50

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 = 50112081   

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))	BDBM50112081 (CHEMBL51528 | [[2-(4-Carbamimidoyl-phenoxymethyl)-...) Show SMILES Cn1c(COc2ccc(cc2)C(N)=N)nc2cc(ccc12)N(CC(O)=O)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C27H24N6O5S/c1-32-22-12-9-19(14-21(22)31-24(32)16-38-20-10-7-18(8-11-20)27(28)29)33(15-25(34)35)39(36,37)23-6-2-4-17-5-3-13-30-26(17)23/h2-14H,15-16H2,1H3,(H3,28,29)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate add...				Eur J Med Chem 146: 299-317 (2018) Article DOI: 10.1016/j.ejmech.2018.01.067 BindingDB Entry DOI: 10.7270/Q2251MTJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112081 (CHEMBL51528 | [[2-(4-Carbamimidoyl-phenoxymethyl)-...) Show SMILES Cn1c(COc2ccc(cc2)C(N)=N)nc2cc(ccc12)N(CC(O)=O)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C27H24N6O5S/c1-32-22-12-9-19(14-21(22)31-24(32)16-38-20-10-7-18(8-11-20)27(28)29)33(15-25(34)35)39(36,37)23-6-2-4-17-5-3-13-30-26(17)23/h2-14H,15-16H2,1H3,(H3,28,29)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	58	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