BDBM50076233 (3S,6R,8aR)-6-Amino-6-benzyl-5-oxo-octahydro-indolizine-3-carboxylic acid [(S)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide::(3S,6R,8aR)-6-amino-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-6-benzyl-5-oxo-octahydroindolizine-3-carboxamide::CHEMBL283717

SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=DBIFEKMGESFACJ-LIWGRTDTSA-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 = 50076233   

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))	BDBM50076233 ((3S,6R,8aR)-6-Amino-6-benzyl-5-oxo-octahydro-indol...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C29H35N7O3S/c30-28(31)33-16-6-10-21(24(37)26-35-20-9-4-5-11-23(20)40-26)34-25(38)22-13-12-19-14-15-29(32,27(39)36(19)22)17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21-22H,6,10,12-17,32H2,(H,34,38)(H4,30,31,33)/t19-,21+,22+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Binding affinity of the compound towards thrombin was determined				J Med Chem 42: 1376-83 (1999) Article DOI: 10.1021/jm980052n BindingDB Entry DOI: 10.7270/Q2W958CX
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076233 ((3S,6R,8aR)-6-Amino-6-benzyl-5-oxo-octahydro-indol...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C29H35N7O3S/c30-28(31)33-16-6-10-21(24(37)26-35-20-9-4-5-11-23(20)40-26)34-25(38)22-13-12-19-14-15-29(32,27(39)36(19)22)17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21-22H,6,10,12-17,32H2,(H,34,38)(H4,30,31,33)/t19-,21+,22+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair