Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567819'   

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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567819 (CHEMBL4845768) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC2(CC2)C1 |(38.63,-28.74,;37.28,-28.01,;35.96,-28.82,;36.01,-30.36,;34.69,-31.17,;33.34,-30.43,;33.3,-28.89,;31.95,-28.16,;30.63,-28.96,;34.62,-28.09,;34.58,-26.55,;33.25,-25.79,;31.92,-26.56,;30.42,-26.16,;30.02,-24.67,;29.33,-27.24,;33.25,-24.25,;34.58,-23.47,;35.91,-24.25,;37.24,-23.48,;38.65,-24.11,;39.68,-22.97,;38.91,-21.63,;37.41,-21.95,;41.2,-23.13,;41.82,-24.55,;43.35,-24.71,;44.26,-23.47,;45.8,-23.63,;43.63,-22.05,;42.11,-21.89,;35.91,-25.79,;37.24,-26.56,;31.91,-23.48,;30.58,-24.26,;31.91,-21.94,;33.24,-21.17,;33.24,-19.64,;31.91,-18.87,;30.57,-19.63,;29.03,-19.62,;29.8,-18.29,;30.57,-21.18,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00019 BindingDB Entry DOI: 10.7270/Q2FF3X3S
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567819 (CHEMBL4845768) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC2(CC2)C1 |(38.63,-28.74,;37.28,-28.01,;35.96,-28.82,;36.01,-30.36,;34.69,-31.17,;33.34,-30.43,;33.3,-28.89,;31.95,-28.16,;30.63,-28.96,;34.62,-28.09,;34.58,-26.55,;33.25,-25.79,;31.92,-26.56,;30.42,-26.16,;30.02,-24.67,;29.33,-27.24,;33.25,-24.25,;34.58,-23.47,;35.91,-24.25,;37.24,-23.48,;38.65,-24.11,;39.68,-22.97,;38.91,-21.63,;37.41,-21.95,;41.2,-23.13,;41.82,-24.55,;43.35,-24.71,;44.26,-23.47,;45.8,-23.63,;43.63,-22.05,;42.11,-21.89,;35.91,-25.79,;37.24,-26.56,;31.91,-23.48,;30.58,-24.26,;31.91,-21.94,;33.24,-21.17,;33.24,-19.64,;31.91,-18.87,;30.57,-19.63,;29.03,-19.62,;29.8,-18.29,;30.57,-21.18,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaph...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00019 BindingDB Entry DOI: 10.7270/Q2FF3X3S
					More data for this Ligand-Target Pair