Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50567823'   

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))	BDBM50567823 (CHEMBL4872718) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C#N |(60.34,-42.18,;58.98,-41.45,;57.67,-42.26,;57.72,-43.79,;56.4,-44.61,;55.05,-43.87,;55.01,-42.33,;53.65,-41.6,;52.34,-42.4,;56.32,-41.53,;56.28,-39.99,;54.96,-39.23,;53.62,-40,;52.13,-39.6,;51.73,-38.11,;51.03,-40.68,;54.96,-37.69,;56.29,-36.91,;57.62,-37.69,;58.95,-36.92,;60.35,-37.55,;61.39,-36.41,;60.62,-35.07,;59.11,-35.39,;62.91,-36.57,;63.53,-37.99,;65.06,-38.15,;65.97,-36.91,;67.5,-37.07,;65.34,-35.49,;63.81,-35.33,;57.62,-39.23,;58.95,-40,;53.62,-36.92,;52.29,-37.7,;53.62,-35.38,;54.95,-34.61,;54.95,-33.08,;53.61,-32.31,;52.28,-33.08,;52.28,-34.62,;50.94,-32.31,;49.61,-31.54,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	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))	BDBM50567823 (CHEMBL4872718) Show SMILES CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C#N |(60.34,-42.18,;58.98,-41.45,;57.67,-42.26,;57.72,-43.79,;56.4,-44.61,;55.05,-43.87,;55.01,-42.33,;53.65,-41.6,;52.34,-42.4,;56.32,-41.53,;56.28,-39.99,;54.96,-39.23,;53.62,-40,;52.13,-39.6,;51.73,-38.11,;51.03,-40.68,;54.96,-37.69,;56.29,-36.91,;57.62,-37.69,;58.95,-36.92,;60.35,-37.55,;61.39,-36.41,;60.62,-35.07,;59.11,-35.39,;62.91,-36.57,;63.53,-37.99,;65.06,-38.15,;65.97,-36.91,;67.5,-37.07,;65.34,-35.49,;63.81,-35.33,;57.62,-39.23,;58.95,-40,;53.62,-36.92,;52.29,-37.7,;53.62,-35.38,;54.95,-34.61,;54.95,-33.08,;53.61,-32.31,;52.28,-33.08,;52.28,-34.62,;50.94,-32.31,;49.61,-31.54,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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