BindingDB PrimarySearch

BDBM383893 US10280150, Cmpd No I-176::US10550099, Compound I-176

SMILES: COc1nc(N[C@@H](C)c2cc3cc(Cl)c(cc3[nH]c2=O)C2CC2)ncc1C#N

InChI Key:

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 383893
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
IDH1 R132H (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 \| US10550099, Compound I...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...				J Med Chem 51: 3261-74 (2008) BindingDB Entry DOI: 10.7270/Q2QR50FF
Cancer Research UK Centre for Cancer Therapeutics					More data for this Ligand-Target Pair
IDH1 R132C (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 \| US10550099, Compound I...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...				J Med Chem 51: 3261-74 (2008) BindingDB Entry DOI: 10.7270/Q2QR50FF
Cancer Research UK Centre for Cancer Therapeutics					More data for this Ligand-Target Pair
IDH1 R132H (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 \| US10550099, Compound I...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. US Patent					Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...				US Patent US10550099 (2020) BindingDB Entry DOI: 10.7270/Q2HT2RR8
Forma Therapeutics, Inc. US Patent					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 \| US10550099, Compound I...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362
Forma Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 \| US10550099, Compound I...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362
Forma Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 \| US10550099, Compound I...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362
Forma Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 \| US10550099, Compound I...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometr...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362
Forma Therapeutics, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
IDH1 R132C (Homo sapiens (Human))	BDBM383893 (US10280150, Cmpd No I-176 \| US10550099, Compound I...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Forma Therapeutics, Inc. US Patent					Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...				US Patent US10550099 (2020) BindingDB Entry DOI: 10.7270/Q2HT2RR8
Forma Therapeutics, Inc. US Patent					More data for this Ligand-Target Pair