Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'thrombin' and Ligand = 'BDBM50067797'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
thrombin (Homo sapiens (Human))	BDBM50067797 (CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	<500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VH5SRT
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