BDBM50182198 ((R)-2-{(S)-2-[(5-carbamimidoyl-thiophen-2-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid::CHEMBL377303::N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE

SMILES: NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1

InChI Key: InChIKey=WWADFOUMUCMPEO-SJORKVTESA-N

Data: 1 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 1 hit for monomerid = 50182198   

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))	BDBM50182198 (((R)-2-{(S)-2-[(5-carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 Show InChI InChI=1S/C22H33N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h8-9,14,16-17,25H,1-7,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	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				3D Structure (crystal)