BDBM50076505 (3R,6S,8aS)-8a-Methyl-5-oxo-6-(2-trifluoromethyl-quinolin-6-yl)-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide; HCl::CHEMBL174282

SMILES: C[C@]12CC[C@H](C(=O)N1[C@@H](CS2)C(=O)NC(CCCNC([NH3+])=N)C(=O)c1nc2ccccc2s1)c1ccc2nc(ccc2c1)C(F)(F)F

InChI Key: InChIKey=UMQMJFHXEJUFPJ-DRZFGESTSA-O

Data: 1 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 1 hit for monomerid = 50076505   

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))	BDBM50076505 ((3R,6S,8aS)-8a-Methyl-5-oxo-6-(2-trifluoromethyl-q...) Show SMILES C[C@]12CC[C@H](C(=O)N1[C@@H](CS2)C(=O)NC(CCCNC([NH3+])=N)C(=O)c1nc2ccccc2s1)c1ccc2nc(ccc2c1)C(F)(F)F Show InChI InChI=1S/C32H32F3N7O3S2/c1-31-13-12-19(17-8-10-20-18(15-17)9-11-25(39-20)32(33,34)35)29(45)42(31)23(16-46-31)27(44)40-22(6-4-14-38-30(36)37)26(43)28-41-21-5-2-3-7-24(21)47-28/h2-3,5,7-11,15,19,22-23H,4,6,12-14,16H2,1H3,(H,40,44)(H4,36,37,38)/p+1/t19-,22?,23-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BioChem Therapeutic Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human thrombin.				Bioorg Med Chem Lett 9: 913-8 (1999) BindingDB Entry DOI: 10.7270/Q2V98780
					More data for this Ligand-Target Pair