Compile Data Set for Download or QSAR

Found 832 hits with Last Name = 'motomura' and Initial = 't'   

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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM160544 (US9040717, Compound (3)) Show SMILES CC(C)(O)CCCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C27H30F3N3O4/c1-24(2,35)10-7-11-37-17-12-19(16-14-32-33(15-16)25(3,4)23(31)34)22-18-8-5-6-9-20(18)26(36,21(22)13-17)27(28,29)30/h5-6,8-9,12-15,35-36H,7,10-11H2,1-4H3,(H2,31,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	8.0	n/a
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK1 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587492 (CHEMBL5079107) Show SMILES CC(C)C(NC(=O)CCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM160544 (US9040717, Compound (3)) Show SMILES CC(C)(O)CCCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C27H30F3N3O4/c1-24(2,35)10-7-11-37-17-12-19(16-14-32-33(15-16)25(3,4)23(31)34)22-18-8-5-6-9-20(18)26(36,21(22)13-17)27(28,29)30/h5-6,8-9,12-15,35-36H,7,10-11H2,1-4H3,(H2,31,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	8.0	30
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587502 (CHEMBL5079949) Show SMILES Cc1nc(N2C[C@](Cc3ccccc3)(C[C@H]2CO)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM160542 (US9040717, Compound (2) | US9040717, Compound (2h)) Show SMILES CC(C)(O)CCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	8.0	30
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM160542 (US9040717, Compound (2) | US9040717, Compound (2h)) Show SMILES CC(C)(O)CCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	8.0	n/a
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK1 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM160542 (US9040717, Compound (2) | US9040717, Compound (2h)) Show SMILES CC(C)(O)CCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	8.0	30
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587504 (CHEMBL5087040) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM160541 (US9040717, Compound (D)) Show SMILES CC(C)(C(N)=O)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F |r| Show InChI InChI=1S/C21H17F4N3O2/c1-19(2,18(26)29)28-10-11(9-27-28)14-7-12(22)8-16-17(14)13-5-3-4-6-15(13)20(16,30)21(23,24)25/h3-10,30H,1-2H3,(H2,26,29)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	8.0	30
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM160538 (US9040717, Compound (A)) Show SMILES NC(=O)Cn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F |r,TLB:25:15:23:20.19.18,14:15:23:20.19.18,14:15:20:23.17.18,THB:25:19:23:15.16.24,16:15:20:23.17.18,16:17:20:15.25.24| Show InChI InChI=1S/C31H32F3N3O4/c32-31(33,34)30(40)24-4-2-1-3-22(24)27-23(20-14-36-37(15-20)16-26(35)38)8-21(9-25(27)30)41-6-5-28-10-18-7-19(11-28)13-29(39,12-18)17-28/h1-4,8-9,14-15,18-19,39-40H,5-7,10-13,16-17H2,(H2,35,38)/t18?,19?,28?,29?,30-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	8.0	30
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587505 (CHEMBL5072731) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587493 (CHEMBL5087238) Show SMILES CC(C)C(CC(=O)NCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM160542 (US9040717, Compound (2) | US9040717, Compound (2h)) Show SMILES CC(C)(O)CCOc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	8.0	n/a
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK1 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM160540 (US9040717, Compound (C)) Show SMILES CC(C)(O)COc1cc2c(-c3ccccc3[C@]2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1 |r| Show InChI InChI=1S/C23H23F3N2O4/c1-21(2,30)13-32-15-9-17(14-11-27-28(12-14)7-8-29)20-16-5-3-4-6-18(16)22(31,19(20)10-15)23(24,25)26/h3-6,9-12,29-31H,7-8,13H2,1-2H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	8.0	30
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183273 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r| Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				J Med Chem 49: 1506-8 (2006) Article DOI: 10.1021/jm0600139 BindingDB Entry DOI: 10.7270/Q2H131NP
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM160539 (US9040717, Compound (B)) Show SMILES Cn1cc(cn1)-c1cc(OCC(C)(C)O)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N2O3/c1-20(2,28)12-30-14-8-16(13-10-26-27(3)11-13)19-15-6-4-5-7-17(15)21(29,18(19)9-14)22(23,24)25/h4-11,28-29H,12H2,1-3H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	8.0	30
JAPAN TOBACCO INC. US Patent					Assay Description For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDH...				US Patent US9040717 (2015) BindingDB Entry DOI: 10.7270/Q2NK3CSC
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183275 ((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...) Show SMILES CC(C)[C@@H](CO)n1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12 Show InChI InChI=1S/C22H21ClFNO4/c1-12(2)19(11-26)25-10-16(22(28)29)21(27)15-9-13(6-7-18(15)25)8-14-4-3-5-17(23)20(14)24/h3-7,9-10,12,19,26H,8,11H2,1-2H3,(H,28,29)/t19-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				J Med Chem 49: 1506-8 (2006) Article DOI: 10.1021/jm0600139 BindingDB Entry DOI: 10.7270/Q2H131NP
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183274 (6-(3-Chloro-2-fluorobenzyl)-1-(2-hydroxyethyl)-7-m...) Show SMILES COc1cc2n(CCO)cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F Show InChI InChI=1S/C20H17ClFNO5/c1-28-17-9-16-13(19(25)14(20(26)27)10-23(16)5-6-24)8-12(17)7-11-3-2-4-15(21)18(11)22/h2-4,8-10,24H,5-7H2,1H3,(H,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
JT Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Med Chem 52: 4869-82 (2009) Article DOI: 10.1021/jm900460z BindingDB Entry DOI: 10.7270/Q2GT5R07
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50183274 (6-(3-Chloro-2-fluorobenzyl)-1-(2-hydroxyethyl)-7-m...) Show SMILES COc1cc2n(CCO)cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F Show InChI InChI=1S/C20H17ClFNO5/c1-28-17-9-16-13(19(25)14(20(26)27)10-23(16)5-6-24)8-12(17)7-11-3-2-4-15(21)18(11)22/h2-4,8-10,24H,5-7H2,1H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				J Med Chem 49: 1506-8 (2006) Article DOI: 10.1021/jm0600139 BindingDB Entry DOI: 10.7270/Q2H131NP
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587503 (CHEMBL5089800) Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(C)nc2[nH]c3c(cccc3c12)C1CC1)c1ccc([nH]1)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480416 (CHEMBL549549) Show SMILES COc1cc2n(CCO)cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C20H17Cl2NO5/c1-28-17-9-16-13(19(25)14(20(26)27)10-23(16)5-6-24)8-12(17)7-11-3-2-4-15(21)18(11)22/h2-4,8-10,24H,5-7H2,1H3,(H,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
JT Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				J Med Chem 52: 4869-82 (2009) Article DOI: 10.1021/jm900460z BindingDB Entry DOI: 10.7270/Q2GT5R07
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Homo sapiens (Human))	BDBM50587504 (CHEMBL5087040) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138031 (US8871934, 624) Show SMILES OCCCCOc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1 Show InChI InChI=1S/C23H23F3N2O4/c24-23(25,26)22(31)19-6-2-1-5-17(19)21-18(15-13-27-28(14-15)7-9-30)11-16(12-20(21)22)32-10-4-3-8-29/h1-2,5-6,11-14,29-31H,3-4,7-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587501 (CHEMBL5092915) Show SMILES Cc1nc(N2C[C@](CO)(Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138071 (US8871934, 664) Show SMILES [#6]\[#6](-[#6])=[#6]/c1cc2c(-c3ccccc3C2([#8])C(F)(F)F)c(c1)-c1cnn(c1)-[#6](-[#6]-[#8])-[#6]-[#8] Show InChI InChI=1S/C24H23F3N2O3/c1-14(2)7-15-8-19(16-10-28-29(11-16)17(12-30)13-31)22-18-5-3-4-6-20(18)23(32,21(22)9-15)24(25,26)27/h3-11,17,30-32H,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138069 (US8871934, 662 | US8871934, 667) Show SMILES NC(=O)c1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(CC2CCCCC2)c1 Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)24(33)20-9-5-4-8-18(20)22-19(23(29)32)10-16(11-21(22)24)17-12-30-31(14-17)13-15-6-2-1-3-7-15/h4-5,8-12,14-15,33H,1-3,6-7,13H2,(H2,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137953 (US8871934, 546) Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C1(CO)CCCC1 Show InChI InChI=1S/C24H23F3N2O2/c1-15-10-18(16-12-28-29(13-16)22(14-30)8-4-5-9-22)21-17-6-2-3-7-19(17)23(31,20(21)11-15)24(25,26)27/h2-3,6-7,10-13,30-31H,4-5,8-9,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137948 (US8871934, 541) Show SMILES NC(=O)Cn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1C2(O)C(F)(F)F |TLB:14:15:20:23.17.18,25:15:23:20.19.18,THB:16:15:20:23.17.18,16:17:20:15.25.24,25:19:23:15.16.24| Show InChI InChI=1S/C31H32F3N3O4/c32-31(33,34)30(40)24-4-2-1-3-22(24)27-23(20-14-36-37(15-20)16-26(35)38)8-21(9-25(27)30)41-6-5-28-10-18-7-19(11-28)13-29(39,12-18)17-28/h1-4,8-9,14-15,18-19,39-40H,5-7,10-13,16-17H2,(H2,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137949 (US8871934, 542) Show SMILES OCCn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1C2(O)C(F)(F)F |TLB:24:14:22:19.18.17,13:14:19:22.16.17,THB:24:18:22:14.15.23,15:14:19:22.16.17,15:16:19:14.24.23| Show InChI InChI=1S/C31H33F3N2O4/c32-31(33,34)30(39)25-4-2-1-3-23(25)27-24(21-16-35-36(17-21)6-7-37)10-22(11-26(27)30)40-8-5-28-12-19-9-20(13-28)15-29(38,14-19)18-28/h1-4,10-11,16-17,19-20,37-39H,5-9,12-15,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137919 (US8871934, 512 | US8871934, 533) Show SMILES CNC(=O)Cn1cc(cn1)-c1cc(C)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C21H18F3N3O2/c1-12-7-15(13-9-26-27(10-13)11-18(28)25-2)19-14-5-3-4-6-16(14)20(29,17(19)8-12)21(22,23)24/h3-10,29H,11H2,1-2H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138053 (US8871934, 646 | US8871934, 659) Show SMILES CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(N)=O Show InChI InChI=1S/C23H22F3N3O2/c1-21(2,3)12-29-11-14(10-28-29)13-8-16(20(27)30)19-15-6-4-5-7-17(15)22(31,18(19)9-13)23(24,25)26/h4-11,31H,12H2,1-3H3,(H2,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137914 (US8871934, 507 | US8871934, 532) Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CC(N)=O)c1 Show InChI InChI=1S/C20H16F3N3O2/c1-11-6-14(12-8-25-26(9-12)10-17(24)27)18-13-4-2-3-5-15(13)19(28,16(18)7-11)20(21,22)23/h2-9,28H,10H2,1H3,(H2,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137955 (US8871934, 548) Show SMILES OCC1(CCCC1)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C23H20F4N2O2/c24-15-9-17(14-11-28-29(12-14)21(13-30)7-3-4-8-21)20-16-5-1-2-6-18(16)22(31,19(20)10-15)23(25,26)27/h1-2,5-6,9-12,30-31H,3-4,7-8,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137947 (US8871934, 540) Show SMILES Cn1cc(cn1)-c1cc(OCCC23CC4CC(CC(O)(C4)C2)C3)cc2c1-c1ccccc1C2(O)C(F)(F)F |TLB:22:12:20:15.16.17,11:12:15:20.18.17,THB:22:16:20:12.21.13,21:12:15:20.18.17,21:18:15:12.22.13| Show InChI InChI=1S/C30H31F3N2O3/c1-35-16-20(15-34-35)23-9-21(38-7-6-27-11-18-8-19(12-27)14-28(36,13-18)17-27)10-25-26(23)22-4-2-3-5-24(22)29(25,37)30(31,32)33/h2-5,9-10,15-16,18-19,36-37H,6-8,11-14,17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137922 (US8871934, 515 | US8871934, 534) Show SMILES CNC(=O)Cn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C20H15F4N3O2/c1-25-17(28)10-27-9-11(8-26-27)14-6-12(21)7-16-18(14)13-4-2-3-5-15(13)19(16,29)20(22,23)24/h2-9,29H,10H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587494 (CHEMBL5090085) Show SMILES CC(C)[C@H](CC(=O)N[C@H](C)c1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair				3D Structure (crystal)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137693 (US8871934, 286) Show SMILES Cn1cc(cn1)-c1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C18H12ClF3N2O/c1-24-9-10(8-23-24)13-6-11(19)7-15-16(13)12-4-2-3-5-14(12)17(15,25)18(20,21)22/h2-9,25H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138057 (US8871934, 650 | US8871934, 660) Show SMILES CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(CO)c1 Show InChI InChI=1S/C23H23F3N2O2/c1-21(2,3)13-28-11-16(10-27-28)14-8-15(12-29)20-17-6-4-5-7-18(17)22(30,19(20)9-14)23(24,25)26/h4-11,29-30H,12-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137959 (US8871934, 552) Show SMILES Cn1cc(cn1)-c1cc(OCCCCC(O)=O)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4/c1-28-13-14(12-27-28)17-10-15(32-9-5-4-8-20(29)30)11-19-21(17)16-6-2-3-7-18(16)22(19,31)23(24,25)26/h2-3,6-7,10-13,31H,4-5,8-9H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138073 (US8871934, 666 | US8871934, 669) Show SMILES CC(C)(C)CCc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(c1)C(CO)CO Show InChI InChI=1S/C26H29F3N2O3/c1-24(2,3)9-8-16-10-20(17-12-30-31(13-17)18(14-32)15-33)23-19-6-4-5-7-21(19)25(34,22(23)11-16)26(27,28)29/h4-7,10-13,18,32-34H,8-9,14-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137899 (US8871934, 492 | US8871934, 529) Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1 Show InChI InChI=1S/C20H17F3N2O2/c1-12-8-15(13-10-24-25(11-13)6-7-26)18-14-4-2-3-5-16(14)19(27,17(18)9-12)20(21,22)23/h2-5,8-11,26-27H,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137952 (US8871934, 545) Show SMILES OCC1(CCCCC1)n1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C24H22F4N2O2/c25-16-10-18(15-12-29-30(13-15)22(14-31)8-4-1-5-9-22)21-17-6-2-3-7-19(17)23(32,20(21)11-16)24(26,27)28/h2-3,6-7,10-13,31-32H,1,4-5,8-9,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138075 (US8871934, 668) Show SMILES OCc1cc(cc2c1-c1ccccc1C2(O)C(F)(F)F)-c1cnn(CC2CCCCC2)c1 Show InChI InChI=1S/C25H25F3N2O2/c26-25(27,28)24(32)21-9-5-4-8-20(21)23-18(15-31)10-17(11-22(23)24)19-12-29-30(14-19)13-16-6-2-1-3-7-16/h4-5,8-12,14,16,31-32H,1-3,6-7,13,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Homo sapiens (Human))	BDBM50587505 (CHEMBL5072731) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137884 (US8871934, 477) Show SMILES NC(=O)COc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1 Show InChI InChI=1S/C21H18F3N3O4/c22-21(23,24)20(30)16-4-2-1-3-14(16)19-15(12-9-26-27(10-12)5-6-28)7-13(8-17(19)20)31-11-18(25)29/h1-4,7-10,28,30H,5-6,11H2,(H2,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137874 (US8871934, 467) Show SMILES Cn1cc(cn1)-c1cc(OCC(N)=O)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C20H16F3N3O3/c1-26-9-11(8-25-26)14-6-12(29-10-17(24)27)7-16-18(14)13-4-2-3-5-15(13)19(16,28)20(21,22)23/h2-9,28H,10H2,1H3,(H2,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137980 (US8871934, 573) Show SMILES Cn1cc(cn1)-c1cc(OCCCc2nnn[nH]2)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137960 (US8871934, 553) Show SMILES CC(C)n1cc(cn1)-c1cc(OCCCC(O)=O)cc2c1-c1ccccc1C2(O)C(F)(F)F Show InChI InChI=1S/C24H23F3N2O4/c1-14(2)29-13-15(12-28-29)18-10-16(33-9-5-8-21(30)31)11-20-22(18)17-6-3-4-7-19(17)23(20,32)24(25,26)27/h3-4,6-7,10-14,32H,5,8-9H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM137972 (US8871934, 565) Show SMILES OC[C@@H](O)Cn1cc(cn1)-c1cc(F)cc2c1-c1ccccc1C2(O)C(F)(F)F |r| Show InChI InChI=1S/C20H16F4N2O3/c21-12-5-15(11-7-25-26(8-11)9-13(28)10-27)18-14-3-1-2-4-16(14)19(29,17(18)6-12)20(22,23)24/h1-8,13,27-29H,9-10H2/t13-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM138070 (US8871934, 663) Show SMILES Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CC(CO)CO)c1 Show InChI InChI=1S/C22H21F3N2O3/c1-13-6-17(15-8-26-27(10-15)9-14(11-28)12-29)20-16-4-2-3-5-18(16)21(30,19(20)7-13)22(23,24)25/h2-8,10,14,28-30H,9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	30
Japan Tobacco Inc. US Patent					Assay Description The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...				US Patent US8871934 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
					More data for this Ligand-Target Pair

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