Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ras-related C3 botulinum toxin substrate 1' and Ligand = 'BDBM50391235'   

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
Ras-related C3 botulinum toxin substrate 1 (Homo sapiens (Human))	BDBM50391235 (CHEMBL3216441) Show SMILES Nc1ncc(NCc2ccc3ccccc3c2)c(N)n1 Show InChI InChI=1S/C15H15N5/c16-14-13(9-19-15(17)20-14)18-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9,18H,8H2,(H4,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02221
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