BDBM50075871 4-[(S)-1-(4-Hydroxy-piperidin-1-ylmethyl)-2-phenyl-ethylamino]-pyridine-3-sulfonic acid {(S)-1-benzyl-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL162002

SMILES: OC1CCN(C[C@H](Cc2ccccc2)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCF)CC2)CC1

InChI Key: InChIKey=UPFAWOKQVCBIPR-DITALETJSA-N

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 = 50075871   

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))	BDBM50075871 (4-[(S)-1-(4-Hydroxy-piperidin-1-ylmethyl)-2-phenyl...) Show SMILES OC1CCN(C[C@H](Cc2ccccc2)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CCF)CC2)CC1 Show InChI InChI=1S/C35H46FN5O4S/c36-17-11-27-13-21-41(22-14-27)35(43)33(24-29-9-5-2-6-10-29)39-46(44,45)34-25-37-18-12-32(34)38-30(23-28-7-3-1-4-8-28)26-40-19-15-31(42)16-20-40/h1-10,12,18,25,27,30-31,33,39,42H,11,13-17,19-24,26H2,(H,37,38)/t30-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
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