BDBM50210423 (2S,3aS,7aS)-1-[(S)-2-((R)-2-hydroxy-propionylamino)-3-methyl-pentanoyl]-octahydro-indole-2-carboxylic acid 4-carbamimidoyl-benzylamide::CHEMBL398122

SMILES: CC[C@H](C)[C@@H](NC(=O)[C@@H](C)O)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=LDGIUPXENGXOMM-NAACNDRUSA-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 = 50210423   

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))	BDBM50210423 ((2S,3aS,7aS)-1-[(S)-2-((R)-2-hydroxy-propionylamin...) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](C)O)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H39N5O4/c1-4-15(2)22(30-24(33)16(3)32)26(35)31-20-8-6-5-7-19(20)13-21(31)25(34)29-14-17-9-11-18(12-10-17)23(27)28/h9-12,15-16,19-22,32H,4-8,13-14H2,1-3H3,(H3,27,28)(H,29,34)(H,30,33)/t15-,16+,19-,20-,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 17: 3480-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.075 BindingDB Entry DOI: 10.7270/Q25M65FJ
					More data for this Ligand-Target Pair