Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567833'   

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))	BDBM50567833 (CHEMBL4868649) Show SMILES CCc1ccc(C)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(53.1,-26.6,;54.42,-25.79,;55.77,-26.53,;55.81,-28.07,;57.16,-28.8,;58.48,-27.99,;59.84,-28.72,;58.43,-26.46,;57.09,-25.73,;57.05,-24.19,;55.72,-23.43,;54.39,-24.2,;52.89,-23.79,;52.49,-22.3,;51.8,-24.88,;55.72,-21.89,;57.05,-21.11,;58.38,-21.89,;59.71,-21.11,;61.12,-21.74,;62.15,-20.6,;61.38,-19.27,;59.88,-19.58,;63.67,-20.77,;64.29,-22.18,;65.82,-22.35,;66.73,-21.1,;68.27,-21.27,;66.1,-19.69,;64.58,-19.53,;58.38,-23.43,;59.71,-24.2,;54.38,-21.12,;53.05,-21.89,;54.38,-19.58,;55.72,-18.81,;55.72,-17.28,;54.39,-16.5,;53.05,-17.28,;53.05,-18.82,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50567833 (CHEMBL4868649) Show SMILES CCc1ccc(C)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(53.1,-26.6,;54.42,-25.79,;55.77,-26.53,;55.81,-28.07,;57.16,-28.8,;58.48,-27.99,;59.84,-28.72,;58.43,-26.46,;57.09,-25.73,;57.05,-24.19,;55.72,-23.43,;54.39,-24.2,;52.89,-23.79,;52.49,-22.3,;51.8,-24.88,;55.72,-21.89,;57.05,-21.11,;58.38,-21.89,;59.71,-21.11,;61.12,-21.74,;62.15,-20.6,;61.38,-19.27,;59.88,-19.58,;63.67,-20.77,;64.29,-22.18,;65.82,-22.35,;66.73,-21.1,;68.27,-21.27,;66.1,-19.69,;64.58,-19.53,;58.38,-23.43,;59.71,-24.2,;54.38,-21.12,;53.05,-21.89,;54.38,-19.58,;55.72,-18.81,;55.72,-17.28,;54.39,-16.5,;53.05,-17.28,;53.05,-18.82,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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