Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567812'   

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))	BDBM50567812 (CHEMBL4864581) Show SMILES CCc1cccc(CC)c1-n1c(CC2CCOC2)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(79.35,-12.05,;77.99,-11.32,;76.68,-12.13,;76.73,-13.66,;75.41,-14.48,;74.06,-13.74,;74.02,-12.2,;72.66,-11.47,;71.35,-12.27,;75.33,-11.4,;75.29,-9.86,;73.97,-9.1,;72.63,-9.87,;71.13,-9.47,;69.93,-10.44,;68.63,-9.59,;69.03,-8.09,;70.58,-8.01,;73.97,-7.56,;75.29,-6.78,;76.62,-7.56,;77.96,-6.79,;79.36,-7.42,;80.4,-6.28,;79.63,-4.94,;78.12,-5.26,;81.92,-6.44,;82.54,-7.85,;84.07,-8.02,;84.98,-6.78,;86.51,-6.94,;84.35,-5.36,;82.82,-5.2,;76.62,-9.1,;77.96,-9.87,;72.63,-6.79,;71.3,-7.57,;72.63,-5.25,;73.95,-4.48,;73.95,-2.95,;72.62,-2.18,;71.29,-2.95,;71.28,-4.49,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	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))	BDBM50567812 (CHEMBL4864581) Show SMILES CCc1cccc(CC)c1-n1c(CC2CCOC2)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(79.35,-12.05,;77.99,-11.32,;76.68,-12.13,;76.73,-13.66,;75.41,-14.48,;74.06,-13.74,;74.02,-12.2,;72.66,-11.47,;71.35,-12.27,;75.33,-11.4,;75.29,-9.86,;73.97,-9.1,;72.63,-9.87,;71.13,-9.47,;69.93,-10.44,;68.63,-9.59,;69.03,-8.09,;70.58,-8.01,;73.97,-7.56,;75.29,-6.78,;76.62,-7.56,;77.96,-6.79,;79.36,-7.42,;80.4,-6.28,;79.63,-4.94,;78.12,-5.26,;81.92,-6.44,;82.54,-7.85,;84.07,-8.02,;84.98,-6.78,;86.51,-6.94,;84.35,-5.36,;82.82,-5.2,;76.62,-9.1,;77.96,-9.87,;72.63,-6.79,;71.3,-7.57,;72.63,-5.25,;73.95,-4.48,;73.95,-2.95,;72.62,-2.18,;71.29,-2.95,;71.28,-4.49,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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