BDBM50307872 (S)-1-((R)-2-amino-3-methylbutanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide dihydrochloride::CHEMBL599865

SMILES: CC(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=MCQKPAYVEDEISY-LSDHHAIUSA-N

Data: 2 KI

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 = 50307872   

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))	BDBM50307872 ((S)-1-((R)-2-amino-3-methylbutanoyl)-N-(4-carbamim...) Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C18H27N5O2/c1-11(2)15(19)18(25)23-9-3-4-14(23)17(24)22-10-12-5-7-13(8-6-12)16(20)21/h5-8,11,14-15H,3-4,9-10,19H2,1-2H3,(H3,20,21)(H,22,24)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin using tPa (CH3SO2-D-Cha-Gly-Arg-pNA.AcOH) as chromogenic substrate by kinetic photometric assay				Eur J Med Chem 96: 405-24 (2015) Article DOI: 10.1016/j.ejmech.2015.03.059 BindingDB Entry DOI: 10.7270/Q2474CMD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50307872 ((S)-1-((R)-2-amino-3-methylbutanoyl)-N-(4-carbamim...) Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C18H27N5O2/c1-11(2)15(19)18(25)23-9-3-4-14(23)17(24)22-10-12-5-7-13(8-6-12)16(20)21/h5-8,11,14-15H,3-4,9-10,19H2,1-2H3,(H3,20,21)(H,22,24)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New York Curated by ChEMBL					Assay Description Binding affinity to human thrombin by standard kinetic photometric assay				J Med Chem 53: 2126-35 (2010) Article DOI: 10.1021/jm9016416 BindingDB Entry DOI: 10.7270/Q2VT1S7P
					More data for this Ligand-Target Pair