BDBM50182202 ((R)-1-{(R)-1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-carbamoyl]-ethylcarbamoyl}-2-cyclohexyl-ethylamino)-acetic acid::CHEMBL378185

SMILES: C[C@@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N

InChI Key: InChIKey=HENQDYITXADQME-CXAGYDPISA-N

Data: 1 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 1 hit for monomerid = 50182202   

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))	BDBM50182202 (((R)-1-{(R)-1-[(6-carbamimidoyl-pyridin-3-ylmethyl...) Show SMILES C[C@@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C21H32N6O4/c1-13(20(30)26-11-15-7-8-16(19(22)23)24-10-15)27-21(31)17(25-12-18(28)29)9-14-5-3-2-4-6-14/h7-8,10,13-14,17,25H,2-6,9,11-12H2,1H3,(H3,22,23)(H,26,30)(H,27,31)(H,28,29)/t13-,17-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair