BDBM50075868 4-((S)-1-Morpholin-4-ylmethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid [(S)-1-(4-amino-benzyl)-2-(4-ethyl-piperidin-1-yl)-2-oxo-ethyl]-amide::CHEMBL164518

SMILES: CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](CN1CCOCC1)Cc1ccccc1

InChI Key: InChIKey=JIJKJXKLEUTUHU-CDZUIXILSA-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 = 50075868   

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))	BDBM50075868 (4-((S)-1-Morpholin-4-ylmethyl-2-phenyl-ethylamino)...) Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](CN1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C34H46N6O4S/c1-2-26-13-16-40(17-14-26)34(41)32(23-28-8-10-29(35)11-9-28)38-45(42,43)33-24-36-15-12-31(33)37-30(22-27-6-4-3-5-7-27)25-39-18-20-44-21-19-39/h3-12,15,24,26,30,32,38H,2,13-14,16-23,25,35H2,1H3,(H,36,37)/t30-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	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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