BDBM50210428 (2S,3aR,5S,6S,7aS)-1-{(S)-3-chloro-2-[(S)-3-hydroxy-2-((R)-methoxy)-propionylamino]-4-methyl-pentanoyl}-5,6-dihydroxy-octahydro-indole-2-carboxylic acid [2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)-ethyl]-amide::CHEMBL394402

SMILES: CO[C@H](CO)C(=O)N[C@H]([C@@H](Cl)C(C)C)C(=O)N1[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C[C@H]1C(=O)NCCC1=CCN(C1)C(N)=N

InChI Key: InChIKey=HVKKNPBITJCJGO-ADQBLBDGSA-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 = 50210428   

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))	BDBM50210428 ((2S,3aR,5S,6S,7aS)-1-{(S)-3-chloro-2-[(S)-3-hydrox...) Show SMILES CO[C@H](CO)C(=O)N[C@H]([C@@H](Cl)C(C)C)C(=O)N1[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C[C@H]1C(=O)NCCC1=CCN(C1)C(N)=N |t:34| Show InChI InChI=1S/C26H43ClN6O7/c1-13(2)21(27)22(31-24(38)20(12-34)40-3)25(39)33-16-10-19(36)18(35)9-15(16)8-17(33)23(37)30-6-4-14-5-7-32(11-14)26(28)29/h5,13,15-22,34-36H,4,6-12H2,1-3H3,(H3,28,29)(H,30,37)(H,31,38)/t15-,16+,17+,18+,19+,20-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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