Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 9201   

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 [R132C] (Homo sapiens (Human))	BDBM448752 ((4S)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-e...) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r| Show InChI InChI=1S/C30H40N6O3/c1-5-28(37)35-16-14-34(15-17-35)25(18-22-6-7-22)24-10-8-23(9-11-24)21(4)32-29-31-13-12-27(33-29)36-26(20(2)3)19-39-30(36)38/h5,8-13,20-22,25-26H,1,6-7,14-19H2,2-4H3,(H,31,32,33)/t21-,25?,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5.08	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448752 ((4S)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-e...) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r| Show InChI InChI=1S/C30H40N6O3/c1-5-28(37)35-16-14-34(15-17-35)25(18-22-6-7-22)24-10-8-23(9-11-24)21(4)32-29-31-13-12-27(33-29)36-26(20(2)3)19-39-30(36)38/h5,8-13,20-22,25-26H,1,6-7,14-19H2,2-4H3,(H,31,32,33)/t21-,25?,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5.08	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448752 ((4S)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-e...) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r| Show InChI InChI=1S/C30H40N6O3/c1-5-28(37)35-16-14-34(15-17-35)25(18-22-6-7-22)24-10-8-23(9-11-24)21(4)32-29-31-13-12-27(33-29)36-26(20(2)3)19-39-30(36)38/h5,8-13,20-22,25-26H,1,6-7,14-19H2,2-4H3,(H,31,32,33)/t21-,25?,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5.08	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448754 (3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-enoylp...) Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C29H37FN6O3/c1-5-26(37)35-14-12-34(13-15-35)23(16-20-6-7-20)22-10-8-21(9-11-22)19(2)31-27-32-24(30)17-25(33-27)36-28(38)39-18-29(36,3)4/h5,8-11,17,19-20,23H,1,6-7,12-16,18H2,2-4H3,(H,31,32,33)/t19-,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5.08	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448752 ((4S)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-e...) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r| Show InChI InChI=1S/C30H40N6O3/c1-5-28(37)35-16-14-34(15-17-35)25(18-22-6-7-22)24-10-8-23(9-11-24)21(4)32-29-31-13-12-27(33-29)36-26(20(2)3)19-39-30(36)38/h5,8-13,20-22,25-26H,1,6-7,14-19H2,2-4H3,(H,31,32,33)/t21-,25?,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5.08	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448754 (3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-enoylp...) Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C29H37FN6O3/c1-5-26(37)35-14-12-34(13-15-35)23(16-20-6-7-20)22-10-8-21(9-11-22)19(2)31-27-32-24(30)17-25(33-27)36-28(38)39-18-29(36,3)4/h5,8-11,17,19-20,23H,1,6-7,12-16,18H2,2-4H3,(H,31,32,33)/t19-,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5.08	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM50503281 (CHEMBL4586919 | US10696665, Example 25) Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C27H37N7O3/c1-6-21(32-12-14-33(15-13-32)24(35)7-2)20-10-8-19(9-11-20)18(3)29-25-30-22(28)16-23(31-25)34-26(36)37-17-27(34,4)5/h7-11,16,18,21H,2,6,12-15,17H2,1,3-5H3,(H3,28,29,30,31)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.89	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM50503281 (CHEMBL4586919 | US10696665, Example 25) Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C27H37N7O3/c1-6-21(32-12-14-33(15-13-32)24(35)7-2)20-10-8-19(9-11-20)18(3)29-25-30-22(28)16-23(31-25)34-26(36)37-17-27(34,4)5/h7-11,16,18,21H,2,6,12-15,17H2,1,3-5H3,(H3,28,29,30,31)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448758 (4R)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-en...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r,w:23.25| Show InChI InChI=1S/C29H38N6O4/c1-4-27(37)34-15-13-33(14-16-34)24(17-21-5-6-21)23-9-7-22(8-10-23)19(2)31-28-30-12-11-26(32-28)35-25(20(3)36)18-39-29(35)38/h4,7-12,19-21,24-25,36H,1,5-6,13-18H2,2-3H3,(H,30,31,32)/t19-,20+,24?,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM50503281 (CHEMBL4586919 | US10696665, Example 25) Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C27H37N7O3/c1-6-21(32-12-14-33(15-13-32)24(35)7-2)20-10-8-19(9-11-20)18(3)29-25-30-22(28)16-23(31-25)34-26(36)37-17-27(34,4)5/h7-11,16,18,21H,2,6,12-15,17H2,1,3-5H3,(H3,28,29,30,31)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448758 (4R)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-en...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r,w:23.25| Show InChI InChI=1S/C29H38N6O4/c1-4-27(37)34-15-13-33(14-16-34)24(17-21-5-6-21)23-9-7-22(8-10-23)19(2)31-28-30-12-11-26(32-28)35-25(20(3)36)18-39-29(35)38/h4,7-12,19-21,24-25,36H,1,5-6,13-18H2,2-3H3,(H,30,31,32)/t19-,20+,24?,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448732 ((S)-3-(2-(((S)-1-(4-((4-Acryloylpiperazin-1-yl)met...) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H34N6O3/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)19(4)28-25-27-11-10-23(29-25)32-22(18(2)3)17-35-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448754 (3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-enoylp...) Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C29H37FN6O3/c1-5-26(37)35-14-12-34(13-15-35)23(16-20-6-7-20)22-10-8-21(9-11-22)19(2)31-27-32-24(30)17-25(33-27)36-28(38)39-18-29(36,3)4/h5,8-11,17,19-20,23H,1,6-7,12-16,18H2,2-4H3,(H,31,32,33)/t19-,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.9	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448738 ((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CC(C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H33FN6O3/c1-5-24(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)28-25-29-22(27)14-23(30-25)33-21(17(2)3)16-36-26(33)35/h5-9,14,17-18,21H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448734 ((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H32N6O3/c1-4-21-17-34-25(33)31(21)22-10-11-26-24(28-22)27-18(3)20-8-6-19(7-9-20)16-29-12-14-30(15-13-29)23(32)5-2/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM146427 (US10696665, Art compound | US8957068, 556) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)=O)cc2)n1 |r| Show InChI InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.2	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448754 (3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-enoylp...) Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r| Show InChI InChI=1S/C29H37FN6O3/c1-5-26(37)35-14-12-34(13-15-35)23(16-20-6-7-20)22-10-8-21(9-11-22)19(2)31-27-32-24(30)17-25(33-27)36-28(38)39-18-29(36,3)4/h5,8-11,17,19-20,23H,1,6-7,12-16,18H2,2-4H3,(H,31,32,33)/t19-,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25.6	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448738 ((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CC(C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H33FN6O3/c1-5-24(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)28-25-29-22(27)14-23(30-25)33-21(17(2)3)16-36-26(33)35/h5-9,14,17-18,21H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.6	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448734 ((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H32N6O3/c1-4-21-17-34-25(33)31(21)22-10-11-26-24(28-22)27-18(3)20-8-6-19(7-9-20)16-29-12-14-30(15-13-29)23(32)5-2/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.6	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448751 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H30F2N6O3/c1-4-23(34)32-11-9-31(10-12-32)14-18-5-7-19(8-6-18)17(3)28-24-29-21(27)13-22(30-24)33-20(16(2)26)15-36-25(33)35/h4-8,13,16-17,20H,1,9-12,14-15H2,2-3H3,(H,28,29,30)/t16-,17-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448737 ((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)ncc1F |r| Show InChI InChI=1S/C26H33FN6O3/c1-5-23(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)29-25-28-14-21(27)24(30-25)33-22(17(2)3)16-36-26(33)35/h5-9,14,17-18,22H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448732 ((S)-3-(2-(((S)-1-(4-((4-Acryloylpiperazin-1-yl)met...) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H34N6O3/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)19(4)28-25-27-11-10-23(29-25)32-22(18(2)3)17-35-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.4	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM50503281 (CHEMBL4586919 | US10696665, Example 25) Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C |r| Show InChI InChI=1S/C27H37N7O3/c1-6-21(32-12-14-33(15-13-32)24(35)7-2)20-10-8-19(9-11-20)18(3)29-25-30-22(28)16-23(31-25)34-26(36)37-17-27(34,4)5/h7-11,16,18,21H,2,6,12-15,17H2,1,3-5H3,(H3,28,29,30,31)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448737 ((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)ncc1F |r| Show InChI InChI=1S/C26H33FN6O3/c1-5-23(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)18(4)29-25-28-14-21(27)24(30-25)33-22(17(2)3)16-36-26(33)35/h5-9,14,17-18,22H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46.6	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448751 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@H](F)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H30F2N6O3/c1-4-23(34)32-11-9-31(10-12-32)14-18-5-7-19(8-6-18)17(3)28-24-29-21(27)13-22(30-24)33-20(16(2)26)15-36-25(33)35/h4-8,13,16-17,20H,1,9-12,14-15H2,2-3H3,(H,28,29,30)/t16-,17-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM146427 (US10696665, Art compound | US8957068, 556) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)=O)cc2)n1 |r| Show InChI InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448744 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H31FN6O3/c1-4-23(33)31-13-11-30(12-14-31)15-19-5-7-20(8-6-19)18(3)28-24-27-10-9-22(29-24)32-21(17(2)26)16-35-25(32)34/h4-10,17-18,21H,1,11-16H2,2-3H3,(H,27,28,29)/t17-,18+,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56.8	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM50503272 (CHEMBL4574029 | US10696665, Example 11) Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r| Show InChI InChI=1S/C25H31FN6O3/c1-5-22(33)31-12-10-30(11-13-31)15-18-6-8-19(9-7-18)17(2)27-23-28-20(26)14-21(29-23)32-24(34)35-16-25(32,3)4/h5-9,14,17H,1,10-13,15-16H2,2-4H3,(H,27,28,29)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83.5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448744 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H31FN6O3/c1-4-23(33)31-13-11-30(12-14-31)15-19-5-7-20(8-6-19)18(3)28-24-27-10-9-22(29-24)32-21(17(2)26)16-35-25(32)34/h4-10,17-18,21H,1,11-16H2,2-3H3,(H,27,28,29)/t17-,18+,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	84.6	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448746 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CO[C@@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H34N6O4/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)18(2)28-25-27-11-10-23(29-25)32-22(19(3)35-4)17-36-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t18-,19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90.9	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM50503271 (CHEMBL4550083 | US10696665, Example 4) Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r| Show InChI InChI=1S/C25H32N6O3/c1-5-22(32)30-14-12-29(13-15-30)16-19-6-8-20(9-7-19)18(2)27-23-26-11-10-21(28-23)31-24(33)34-17-25(31,3)4/h5-11,18H,1,12-17H2,2-4H3,(H,26,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	96.8	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448741 ((S)-3-(2-(1-(4-((4- acryloylpiperazin-1- yl)methyl...) Show SMILES CC[C@H]1COC(=O)N1c1ccnc(NC(CF)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H31FN6O3/c1-3-20-17-35-25(34)32(20)22-9-10-27-24(29-22)28-21(15-26)19-7-5-18(6-8-19)16-30-11-13-31(14-12-30)23(33)4-2/h4-10,20-21H,2-3,11-17H2,1H3,(H,27,28,29)/t20-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448746 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CO[C@@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H34N6O4/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)18(2)28-25-27-11-10-23(29-25)32-22(19(3)35-4)17-36-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t18-,19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM50503272 (CHEMBL4574029 | US10696665, Example 11) Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r| Show InChI InChI=1S/C25H31FN6O3/c1-5-22(33)31-12-10-30(11-13-31)15-18-6-8-19(9-7-18)17(2)27-23-28-20(26)14-21(29-23)32-24(34)35-16-25(32,3)4/h5-9,14,17H,1,10-13,15-16H2,2-4H3,(H,27,28,29)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448747 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H34N6O4/c1-5-24(33)31-14-12-30(13-15-31)16-20-6-8-21(9-7-20)18(2)28-25-27-11-10-23(29-25)32-22(19(3)35-4)17-36-26(32)34/h5-11,18-19,22H,1,12-17H2,2-4H3,(H,27,28,29)/t18-,19+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448748 (3-(2-(((1S)-1-(4-(1-(4- acryloylpiperazin-1- yl)pr...) Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1CCOC1=O |r| Show InChI InChI=1S/C25H32N6O3/c1-4-21(29-12-14-30(15-13-29)23(32)5-2)20-8-6-19(7-9-20)18(3)27-24-26-11-10-22(28-24)31-16-17-34-25(31)33/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM50503271 (CHEMBL4550083 | US10696665, Example 4) Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r| Show InChI InChI=1S/C25H32N6O3/c1-5-22(32)30-14-12-29(13-15-30)16-19-6-8-20(9-7-19)18(2)27-23-26-11-10-21(28-23)31-24(33)34-17-25(31,3)4/h5-11,18H,1,12-17H2,2-4H3,(H,26,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM448758 (4R)-3-[2-[[(1S)-1-[4-[2-Cyclopropyl-1-(4-prop-2-en...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r,w:23.25| Show InChI InChI=1S/C29H38N6O4/c1-4-27(37)34-15-13-33(14-16-34)24(17-21-5-6-21)23-9-7-22(8-10-23)19(2)31-28-30-12-11-26(32-28)35-25(20(3)36)18-39-29(35)38/h4,7-12,19-21,24-25,36H,1,5-6,13-18H2,2-3H3,(H,30,31,32)/t19-,20+,24?,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448739 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r| Show InChI InChI=1S/C24H29FN6O3/c1-3-22(32)30-12-10-29(11-13-30)15-18-4-6-19(7-5-18)17(2)27-23-26-9-8-21(28-23)31-20(14-25)16-34-24(31)33/h3-9,17,20H,1,10-16H2,2H3,(H,26,27,28)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448741 ((S)-3-(2-(1-(4-((4- acryloylpiperazin-1- yl)methyl...) Show SMILES CC[C@H]1COC(=O)N1c1ccnc(NC(CF)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C25H31FN6O3/c1-3-20-17-35-25(34)32(20)22-9-10-27-24(29-22)28-21(15-26)19-7-5-18(6-8-19)16-30-11-13-31(14-12-30)23(33)4-2/h4-10,20-21H,2-3,11-17H2,1H3,(H,27,28,29)/t20-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448742 (3-(2-((1-(4-((4- acryloylpiperazin-1-yl) methyl)ph...) Show SMILES CC1(C)COC(=O)N1c1ccnc(NC(CF)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 Show InChI InChI=1S/C25H31FN6O3/c1-4-22(33)31-13-11-30(12-14-31)16-18-5-7-19(8-6-18)20(15-26)28-23-27-10-9-21(29-23)32-24(34)35-17-25(32,2)3/h4-10,20H,1,11-17H2,2-3H3,(H,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448750 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H33FN6O4/c1-5-24(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)17(2)28-25-29-22(27)14-23(30-25)33-21(18(3)36-4)16-37-26(33)35/h5-9,14,17-18,21H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t17-,18+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448750 ((R)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES CO[C@H](C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r| Show InChI InChI=1S/C26H33FN6O4/c1-5-24(34)32-12-10-31(11-13-32)15-19-6-8-20(9-7-19)17(2)28-25-29-22(27)14-23(30-25)33-21(18(3)36-4)16-37-26(33)35/h5-9,14,17-18,21H,1,10-13,15-16H2,2-4H3,(H,28,29,30)/t17-,18+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448735 ((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r| Show InChI InChI=1S/C24H30N6O3/c1-4-22(31)29-13-11-28(12-14-29)15-19-5-7-20(8-6-19)18(3)26-23-25-10-9-21(27-23)30-17(2)16-33-24(30)32/h4-10,17-18H,1,11-16H2,2-3H3,(H,25,26,27)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448735 ((S)-3-(2-(((S)-1-(4-((4- acryloylpiperazin-1- yl)m...) Show SMILES C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r| Show InChI InChI=1S/C24H30N6O3/c1-4-22(31)29-13-11-28(12-14-29)15-19-5-7-20(8-6-19)18(3)26-23-25-10-9-21(27-23)30-17(2)16-33-24(30)32/h4-10,17-18H,1,11-16H2,2-3H3,(H,25,26,27)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448740 ((S)-3-(2-((1-(4-((4- acryloylpiperazin-1- yl)methy...) Show SMILES C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r| Show InChI InChI=1S/C25H31FN6O3/c1-5-21(33)31-12-10-30(11-13-31)15-18-6-8-19(9-7-18)17(2)28-23-27-14-20(26)22(29-23)32-24(34)35-16-25(32,3)4/h5-9,14,17H,1,10-13,15-16H2,2-4H3,(H,27,28,29)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448742 (3-(2-((1-(4-((4- acryloylpiperazin-1-yl) methyl)ph...) Show SMILES CC1(C)COC(=O)N1c1ccnc(NC(CF)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 Show InChI InChI=1S/C25H31FN6O3/c1-4-22(33)31-13-11-30(12-14-31)16-18-5-7-19(8-6-18)20(15-26)28-23-27-10-9-21(29-23)32-24(34)35-17-25(32,2)3/h4-10,20H,1,11-17H2,2-3H3,(H,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	261	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM50503273 (CHEMBL4571722 | US10696665, Example 13) Show SMILES [H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1)[C@@H](C)O |r| Show InChI InChI=1S/C25H32N6O4/c1-4-23(33)30-13-11-29(12-14-30)15-19-5-7-20(8-6-19)17(2)27-24-26-10-9-22(28-24)31-21(18(3)32)16-35-25(31)34/h4-10,17-18,21,32H,1,11-16H2,2-3H3,(H,26,27,28)/t17-,18+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM448748 (3-(2-(((1S)-1-(4-(1-(4- acryloylpiperazin-1- yl)pr...) Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1CCOC1=O |r| Show InChI InChI=1S/C25H32N6O3/c1-4-21(29-12-14-30(15-13-29)23(32)5-2)20-8-6-19(7-9-20)18(3)27-24-26-11-10-22(28-24)31-16-17-34-25(31)33/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM448748 (3-(2-(((1S)-1-(4-(1-(4- acryloylpiperazin-1- yl)pr...) Show SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1CCOC1=O |r| Show InChI InChI=1S/C25H32N6O3/c1-4-21(29-12-14-30(15-13-29)23(32)5-2)20-8-6-19(7-9-20)18(3)27-24-26-11-10-22(28-24)31-16-17-34-25(31)33/h5-11,18,21H,2,4,12-17H2,1,3H3,(H,26,27,28)/t18-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...				US Patent US10696665 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KP2
					More data for this Ligand-Target Pair

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