Compile Data Set for Download or QSAR

Found 2173 hits with Last Name = 'lancia' and Initial = 'dr'   

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))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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 expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273535 (CHEMBL4130288 | US11535607, Example 18-1) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1nc2cc(ccc2o1)C(F)(F)F Show InChI InChI=1S/C19H16F3N3O3/c1-18(2)13-5-3-4-11(16(26)24-27)12(13)9-25(18)17-23-14-8-10(19(20,21)22)6-7-15(14)28-17/h3-8,27H,9H2,1-2H3,(H,24,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50273537 (CHEMBL4128164 | US11535607, Example 50-5) Show SMILES ONC(=O)c1ccc2CN(CCc2c1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16N4O2/c22-16(20-23)12-5-6-13-10-21(8-7-11(13)9-12)17-18-14-3-1-2-4-15(14)19-17/h1-6,9,23H,7-8,10H2,(H,18,19)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC6 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273522 (CHEMBL4127743 | US11535607, Example 12-1) Show SMILES ONC(=O)c1cccc2CN(Cc12)c1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C17H13F3N4O2/c18-17(19,20)10-4-5-13-14(6-10)22-16(21-13)24-7-9-2-1-3-11(12(9)8-24)15(25)23-26/h1-6,26H,7-8H2,(H,21,22)(H,23,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273525 (CHEMBL4128972 | US11535607, Example 18-2) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1nc2ncccc2o1 Show InChI InChI=1S/C17H16N4O3/c1-17(2)12-6-3-5-10(15(22)20-23)11(12)9-21(17)16-19-14-13(24-16)7-4-8-18-14/h3-8,23H,9H2,1-2H3,(H,20,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273553 (CHEMBL4127020 | US10508088, ID HDTK028 | US1153560...) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C19H17F3N4O2/c1-18(2)13-5-3-4-11(16(27)25-28)12(13)9-26(18)17-23-14-7-6-10(19(20,21)22)8-15(14)24-17/h3-8,28H,9H2,1-2H3,(H,23,24)(H,25,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273526 (CHEMBL4126661 | US11535607, Example 22-8) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1cnc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM421500 (US10508088, Example 1-1 | US10508088, ID HDTK010 |...) Show SMILES ONC(=O)c1cccc(Nc2nc3cc(Cl)c(Cl)cc3o2)c1 Show InChI InChI=1S/C14H9Cl2N3O3/c15-9-5-11-12(6-10(9)16)22-14(18-11)17-8-3-1-2-7(4-8)13(20)19-21/h1-6,21H,(H,17,18)(H,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics, Inc. US Patent					Assay Description This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...				US Patent US10508088 (2019) BindingDB Entry DOI: 10.7270/Q2280B04
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273520 (CHEMBL4127735 | US11535607, Example 22-3) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C17H16F3N3O2/c1-16(2)13-5-3-4-11(15(24)22-25)12(13)9-23(16)10-6-7-14(21-8-10)17(18,19)20/h3-8,25H,9H2,1-2H3,(H,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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 R132G mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273553 (CHEMBL4127020 | US10508088, ID HDTK028 | US1153560...) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C19H17F3N4O2/c1-18(2)13-5-3-4-11(16(27)25-28)12(13)9-26(18)17-23-14-7-6-10(19(20,21)22)8-15(14)24-17/h3-8,28H,9H2,1-2H3,(H,23,24)(H,25,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics, Inc. US Patent					Assay Description This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using a...				US Patent US10508088 (2019) BindingDB Entry DOI: 10.7270/Q2280B04
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383892 (US10280150, Cmpd No I-175 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50273524 (CHEMBL4129402 | US11535607, Example 50-4) Show SMILES ONC(=O)c1ccc2CCN(Cc2c1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16N4O2/c22-16(20-23)12-6-5-11-7-8-21(10-13(11)9-12)17-18-14-3-1-2-4-15(14)19-17/h1-6,9,23H,7-8,10H2,(H,18,19)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC6 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383892 (US10280150, Cmpd No I-175 | US10550099, Compound I...) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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 expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273538 (CHEMBL4127894 | US11535607, Example 22-6) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1ncc(cn1)C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2/c1-15(2)12-5-3-4-10(13(24)22-25)11(12)8-23(15)14-20-6-9(7-21-14)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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 R132L mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire hi...				J Med Chem 62: 6575-6596 (2019) Article DOI: 10.1021/acs.jmedchem.9b00362 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377646 (4-({[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1,2- |...) Show SMILES COc1cc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H19ClN4O3/c1-31-22-10-18(6-5-15(22)12-26)28-13-17-8-16-9-20(25)23(11-21(16)29-24(17)30)32-14-19-4-2-3-7-27-19/h2-11,28H,13-14H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273554 (CHEMBL4129134 | US11535607, Example 22-2) Show SMILES CC1(C)N(Cc2c1cccc2C(=O)NO)c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C17H16F3N3O2/c1-16(2)13-5-3-4-11(15(24)22-25)12(13)9-23(16)14-7-6-10(8-21-14)17(18,19)20/h3-8,25H,9H2,1-2H3,(H,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273549 (CHEMBL4129266 | US11535607, Example 15-1) Show SMILES ONC(=O)c1cccc2CN(Cc12)c1nc2ccccc2o1 Show InChI InChI=1S/C16H13N3O3/c20-15(18-21)11-5-3-4-10-8-19(9-12(10)11)16-17-13-6-1-2-7-14(13)22-16/h1-7,21H,8-9H2,(H,18,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM377574 (4-{[(1S)-1-(6-chloro-2-oxo- | US10266495, Compound...) Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50273551 (CHEMBL4129143 | US11535607, Example 45-1) Show SMILES ONC(=O)c1cccc2CN(Cc12)c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C15H12F3N3O2/c16-15(17,18)10-4-5-13(19-6-10)21-7-9-2-1-3-11(12(9)8-21)14(22)20-23/h1-6,23H,7-8H2,(H,20,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility...				Bioorg Med Chem Lett 28: 2143-2147 (2018) Article DOI: 10.1016/j.bmcl.2018.05.021 BindingDB Entry DOI: 10.7270/Q2PR7ZGX
					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 COc1nc(N[C@@H](C)c2cc3cc(Cl)c(cc3[nH]c2=O)C2CC2)ncc1C#N |r| Show InChI	PDB KEGG UniProtKB/SwissProt 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 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM383860 (US10280150, Cmpd No I-143 | US10550099, Compound I...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt 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 BindingDB Entry DOI: 10.7270/Q2VD72TR
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526389 (CHEMBL4450081) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375201 (5-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...) Show SMILES COc1nc(ccc1NCc1cc2cc(Cl)ccc2[nH]c1=O)C#N Show InChI InChI=1S/C17H13ClN4O2/c1-24-17-15(5-3-13(8-19)21-17)20-9-11-6-10-7-12(18)2-4-14(10)22-16(11)23/h2-7,20H,9H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375162 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375166 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(OC)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375223 (6-{[(6-chloro-7-methoxy-2-oxo-1,2- | US10253015, C...) Show SMILES COc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(C)n3)cc2cc1Cl Show InChI InChI=1S/C18H15ClN4O2/c1-10-11(8-20)3-4-17(22-10)21-9-13-5-12-6-14(19)16(25-2)7-15(12)23-18(13)24/h3-7H,9H2,1-2H3,(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375225 (6-[({6-chloro-7-[2-(4- | US10253015, Compound I-85) Show SMILES Cc1nc(NCc2cc3cc(Cl)c(OCCN4CCN(CC4)S(C)(=O)=O)cc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C24H27ClN6O4S/c1-16-17(14-26)3-4-23(28-16)27-15-19-11-18-12-20(25)22(13-21(18)29-24(19)32)35-10-9-30-5-7-31(8-6-30)36(2,33)34/h3-4,11-13H,5-10,15H2,1-2H3,(H,27,28)(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375141 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-1) Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375144 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-4) Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375145 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-5) Show SMILES C[C@H](Nc1cc(C)c(cn1)C#N)c1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375146 (6-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-6) Show SMILES COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375147 (5-{[(1S)-1-(6-chloro-2- | US10253015, Compound I-7) Show SMILES COc1nc(ccc1N[C@@H](C)c1cc2cc(Cl)ccc2[nH]c1=O)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375150 (6-chloro-3-[(1S)-1-{[4-(2- | US10253015, Compound ...) Show SMILES C[C@H](Nc1cc(ccn1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375151 (6-chloro-3-[(1S)-1-{[6-(2- | US10253015, Compound ...) Show SMILES C[C@H](Nc1cccc(n1)N1CCOC1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375154 (6-chloro-3-[(1S)-1-{[3- | US10253015, Compound I-1...) Show SMILES C[C@H](Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)ccc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375161 (6-{[1-(6-chloro-7-fluoro-2- | US10253015, Compound...) Show SMILES CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375162 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(F)cc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375163 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM375163 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375164 (6-{[1-(6-chloro-7-methoxy- | US10253015, Compound ...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)C(C)Nc1ccc(C#N)c(C)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375165 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM375165 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OC)cc3[nH]c2=O)ncc1C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM375166 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(OC)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375166 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)c(OC)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy's 5 A, 10% fetal bovine serum, 1× antibiotic-antimyco...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375167 (6-{[(1S)-1-(6-chloro-7- | US10253015, Compound I-2...) Show SMILES COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1cc(C)c(cn1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375168 (6-{[(1S)-1-[6-chloro-2-oxo- | US10253015, Compound...) Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM375168 (6-{[(1S)-1-[6-chloro-2-oxo- | US10253015, Compound...) Show SMILES C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					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...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
					More data for this Ligand-Target Pair

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