Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM113969'   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM113969 ((4S)-1-[(1S)-1-benzyl-2-[(2R)-2-[[(5S)-5-(4-hydrox...) Show SMILES Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 Show InChI InChI=1S/C42H49N5O2S2/c48-39-17-13-33(14-18-39)24-36-27-43-41(50)46(36)29-35-12-7-22-44(35)28-37(25-32-10-5-2-6-11-32)47-30-38(26-34-15-19-40(49)20-16-34)45(42(47)51)23-21-31-8-3-1-4-9-31/h1-6,8-11,13-20,35-38,48-49H,7,12,21-30H2,(H,43,50)/t35-,36+,37+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2DV1HJQ
					More data for this Ligand-Target Pair