BDBM50112083 3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-propionic acid::CHEMBL48635

SMILES: Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1

InChI Key: InChIKey=UVBJNAQZKAECRN-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 = 50112083   

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))	BDBM50112083 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H26N6O3/c1-31-22-12-9-18(26(35)32(14-13-24(33)34)20-5-3-2-4-6-20)15-21(22)30-23(31)16-29-19-10-7-17(8-11-19)25(27)28/h2-12,15,29H,13-14,16H2,1H3,(H3,27,28)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40	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))	BDBM50112083 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H26N6O3/c1-31-22-12-9-18(26(35)32(14-13-24(33)34)20-5-3-2-4-6-20)15-21(22)30-23(31)16-29-19-10-7-17(8-11-19)25(27)28/h2-12,15,29H,13-14,16H2,1H3,(H3,27,28)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.40	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