Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'fujimoto' and Initial = 'n'   

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
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50604041 (CHEMBL5200146) Show SMILES CCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02113 BindingDB Entry DOI: 10.7270/Q2M049JM
					More data for this Ligand-Target Pair
Cysteine protease ATG4B (Homo sapiens (Human))	BDBM50604040 (CHEMBL1358284) Show SMILES CCCCCCCCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02113 BindingDB Entry DOI: 10.7270/Q2M049JM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50365553 (CHEMBL1957675) Show SMILES CCCC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1 Show InChI InChI=1S/C19H19N5OS2/c1-3-4-16(25)20-8-15-23-17(18(24-15)19-22-11(2)9-26-19)12-5-6-13-14(7-12)27-10-21-13/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused ALK5 using TMB substrate after 30 mins by ELISA				Bioorg Med Chem Lett 22: 2024-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.066 BindingDB Entry DOI: 10.7270/Q2668DPH
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM50405568 (CHEMBL5273557) Show SMILES OCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1 Show InChI InChI=1S/C20H20NO/c22-16-4-13-21-14-11-17(12-15-21)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,14-15,22H,4,13,16H2/q+1/b10-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars		n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50%				Citation and Details
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466252 (US10793582, Example 66) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(Oc3ccccc3)c2s1 |r| Show InChI InChI=1S/C23H21N5O2S/c29-21(24-14-16-8-3-1-4-9-16)18-12-7-13-28(18)23-27-20-19(31-23)22(26-15-25-20)30-17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466253 (US10793582, Example 67) Show SMILES CCNc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N6OS/c1-2-24-15-14-16(27-18(26-15)20(21,22)23)28-19(31-14)29-10-6-9-13(29)17(30)25-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,25,30)(H,24,26,27)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466258 (US10793582, Example 83) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(COC3CCOCC3)nc(C3CC3)c2s1 |r| Show InChI InChI=1S/C26H31N5O3S/c32-25(27-15-17-5-2-1-3-6-17)20-7-4-12-31(20)26-30-24-23(35-26)22(18-8-9-18)28-21(29-24)16-34-19-10-13-33-14-11-19/h1-3,5-6,18-20H,4,7-16H2,(H,27,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543404 (CHEMBL4640154) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)22-16(24)10-8-9-4-3-7-13(23)14(9)25-15(10)21/h1-8,21,23H,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543398 (CHEMBL4642187) Show SMILES CCc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C18H16N2O3/c1-2-11-6-3-4-8-14(11)20-18(22)13-10-12-7-5-9-15(21)16(12)23-17(13)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543409 (CHEMBL4642852) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)10-4-6-11(7-5-10)22-16(24)12-8-9-2-1-3-13(23)14(9)25-15(12)21/h1-8,21,23H,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543401 (CHEMBL4644092) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466232 ((R)—N-benzyl-1-(7-cyclopropyl[1,3]thiazolo[4,...) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(C3CC3)c2s1 |r| Show InChI InChI=1S/C20H21N5OS/c26-19(21-11-13-5-2-1-3-6-13)15-7-4-10-25(15)20-24-18-17(27-20)16(14-8-9-14)22-12-23-18/h1-3,5-6,12,14-15H,4,7-11H2,(H,21,26)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543399 (CHEMBL4648793) Show SMILES Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466226 (US10793582, Example 14) Show SMILES CN(C)c1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N6OS/c1-28(2)16-14-15(25-18(27-16)20(21,22)23)26-19(31-14)29-10-6-9-13(29)17(30)24-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,24,30)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543402 (CHEMBL4634960) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50365559 (CHEMBL1957662) Show SMILES Cc1csc(n1)-c1[nH]c(CCCCC(O)=O)nc1-c1ccc2OCOc2c1 Show InChI InChI=1S/C19H19N3O4S/c1-11-9-27-19(20-11)18-17(12-6-7-13-14(8-12)26-10-25-13)21-15(22-18)4-2-3-5-16(23)24/h6-9H,2-5,10H2,1H3,(H,21,22)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused ALK5 using TMB substrate after 30 mins by ELISA				Bioorg Med Chem Lett 22: 2024-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.066 BindingDB Entry DOI: 10.7270/Q2668DPH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543407 (CHEMBL4641899) Show SMILES CC(C)c1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C19H18N2O3/c1-11(2)13-7-3-4-8-15(13)21-19(23)14-10-12-6-5-9-16(22)17(12)24-18(14)20/h3-11,20,22H,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50365553 (CHEMBL1957675) Show SMILES CCCC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1 Show InChI InChI=1S/C19H19N5OS2/c1-3-4-16(25)20-8-15-23-17(18(24-15)19-22-11(2)9-26-19)12-5-6-13-14(7-12)27-10-21-13/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 activity in human A549 cells assessed as TGFbeta-induced smad2/3 phosphorylation after 2 hrs by fluorescence ass...				Bioorg Med Chem Lett 22: 2024-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.066 BindingDB Entry DOI: 10.7270/Q2668DPH
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466306 ((R)—N-benzyl-1-(6-cyclopropyl[1,3]thiazolo[4,...) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(nc2s1)C1CC1 Show InChI InChI=1S/C20H21N5OS/c26-18(22-11-13-5-2-1-3-6-13)16-7-4-10-25(16)20-24-17-19(27-20)23-15(12-21-17)14-8-9-14/h1-3,5-6,12,14,16H,4,7-11H2,(H,22,26)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543397 (CHEMBL4646593) Show SMILES CCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human))	BDBM50543400 (CHEMBL4640248) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CBR1 (unknown origin)				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466295 ((R)—N-benzyl-1-[7-ethyl-6-(1-methyl-1H-pyrazo...) Show SMILES CCc1c(cnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H26N6OS/c1-3-18-19(17-13-27-29(2)15-17)14-25-22-21(18)32-24(28-22)30-11-7-10-20(30)23(31)26-12-16-8-5-4-6-9-16/h4-6,8-9,13-15,20H,3,7,10-12H2,1-2H3,(H,26,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466246 (US10793582, Example 46) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(CC3CCOCC3)nc(C3CC3)c2s1 |r| Show InChI InChI=1S/C26H31N5O2S/c32-25(27-16-18-5-2-1-3-6-18)20-7-4-12-31(20)26-30-24-23(34-26)22(19-8-9-19)28-21(29-24)15-17-10-13-33-14-11-17/h1-3,5-6,17,19-20H,4,7-16H2,(H,27,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466225 (US10793582, Example 10) Show SMILES CON(C)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H22N6O2S/c1-24(27-2)17-15-16(21-12-22-17)23-19(28-15)25-10-6-9-14(25)18(26)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,20,26)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543416 (CHEMBL4639909) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3)c(=N)oc12 Show InChI InChI=1S/C16H12N2O3/c17-15-12(16(20)18-11-6-2-1-3-7-11)9-10-5-4-8-13(19)14(10)21-15/h1-9,17,19H,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466230 ((R)—N-benzyl-1-(7-ethoxy[1,3]thiazolo[4,5-d]p...) Show SMILES CCOc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H21N5O2S/c1-2-26-18-15-16(21-12-22-18)23-19(27-15)24-10-6-9-14(24)17(25)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,20,25)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543396 (CHEMBL4641012) Show SMILES CCc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1 Show InChI InChI=1S/C18H16N2O3/c1-2-11-6-8-13(9-7-11)20-18(22)14-10-12-4-3-5-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543405 (CHEMBL4639417) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466261 ((R)—N-benzyl-1-[7-(cyclobutyloxy)[1,3]thiazol...) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(OC3CCC3)c2s1 |r| Show InChI InChI=1S/C21H23N5O2S/c27-19(22-12-14-6-2-1-3-7-14)16-10-5-11-26(16)21-25-18-17(29-21)20(24-13-23-18)28-15-8-4-9-15/h1-3,6-7,13,15-16H,4-5,8-12H2,(H,22,27)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543406 (CHEMBL4637597) Show SMILES CC(C)c1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C19H18N2O3/c1-11(2)12-5-3-7-14(9-12)21-19(23)15-10-13-6-4-8-16(22)17(13)24-18(15)20/h3-11,20,22H,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466223 (US10793582, Example 2) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(N3CCOCC3)c2s1 |r| Show InChI InChI=1S/C21H24N6O2S/c28-20(22-13-15-5-2-1-3-6-15)16-7-4-8-27(16)21-25-18-17(30-21)19(24-14-23-18)26-9-11-29-12-10-26/h1-3,5-6,14,16H,4,7-13H2,(H,22,28)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543411 (CHEMBL4634140) Show SMILES Oc1cccc2cc(C(=O)Nc3cc(F)c(F)c(F)c3)c(=N)oc12 Show InChI InChI=1S/C16H9F3N2O3/c17-10-5-8(6-11(18)13(10)19)21-16(23)9-4-7-2-1-3-12(22)14(7)24-15(9)20/h1-6,20,22H,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Phospholipase A2 (Homo sapiens (Human))	BDBM50604040 (CHEMBL1358284) Show SMILES CCCCCCCCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02113 BindingDB Entry DOI: 10.7270/Q2M049JM
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466229 (US10793582, Example 18) Show SMILES CN(C)c1nc(C)nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H24N6OS/c1-13-22-17-16(18(23-13)25(2)3)28-20(24-17)26-11-7-10-15(26)19(27)21-12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-12H2,1-3H3,(H,21,27)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543410 (CHEMBL4633866) Show SMILES Oc1cccc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)10-4-2-5-11(8-10)22-16(24)12-7-9-3-1-6-13(23)14(9)25-15(12)21/h1-8,21,23H,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543415 (CHEMBL4641799) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543414 (CHEMBL4636345) Show SMILES Cc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C17H14N2O3/c1-10-5-2-3-7-13(10)19-17(21)12-9-11-6-4-8-14(20)15(11)22-16(12)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50365555 (CHEMBL1957649) Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2OCOc2c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H16N4O3S/c1-11-9-29-21(23-11)18-17(14-6-7-15-16(8-14)28-10-27-15)24-20(25-18)13-4-2-12(3-5-13)19(22)26/h2-9H,10H2,1H3,(H2,22,26)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused ALK5 using TMB substrate after 30 mins by ELISA				Bioorg Med Chem Lett 22: 2024-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.066 BindingDB Entry DOI: 10.7270/Q2668DPH
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543413 (CHEMBL4649502) Show SMILES Cc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C17H14N2O3/c1-10-4-2-6-12(8-10)19-17(21)13-9-11-5-3-7-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543400 (CHEMBL4640248) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12 Show InChI InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543408 (CHEMBL4640782) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(cc3C(F)(F)F)C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C18H10F6N2O3/c19-17(20,21)9-4-5-12(11(7-9)18(22,23)24)26-16(28)10-6-8-2-1-3-13(27)14(8)29-15(10)25/h1-7,25,27H,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50213370 (CHEMBL82085) Show SMILES Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C16H12N2O4/c17-15-12(7-9-3-1-6-13(20)14(9)22-15)16(21)18-10-4-2-5-11(19)8-10/h1-8,17,19-20H,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50365538 (CHEMBL1957656) Show SMILES CCCC(=O)NCc1nc(-c2nc(C)cs2)c([nH]1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C19H20N4O3S/c1-3-4-16(24)20-8-15-22-17(18(23-15)19-21-11(2)9-27-19)12-5-6-13-14(7-12)26-10-25-13/h5-7,9H,3-4,8,10H2,1-2H3,(H,20,24)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused ALK5 using TMB substrate after 30 mins by ELISA				Bioorg Med Chem Lett 22: 2024-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.066 BindingDB Entry DOI: 10.7270/Q2668DPH
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466242 (US10793582, Example 36) Show SMILES C[C@@H](N(C)c1nc2ncnc(C3CC3)c2s1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H21N5OS/c1-12(18(25)20-10-13-6-4-3-5-7-13)24(2)19-23-17-16(26-19)15(14-8-9-14)21-11-22-17/h3-7,11-12,14H,8-10H2,1-2H3,(H,20,25)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543403 (CHEMBL4642678) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3F)c(=N)oc12 Show InChI InChI=1S/C16H11FN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466228 (US10793582, Example 17) Show SMILES COCCc1nc(N(C)C)c2sc(nc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C22H28N6O2S/c1-27(2)20-18-19(24-17(25-20)11-13-30-3)26-22(31-18)28-12-7-10-16(28)21(29)23-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,23,29)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466237 (US10793582, Example 31) Show SMILES CC1(CC1)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H23N5OS/c1-21(9-10-21)17-16-18(24-13-23-17)25-20(28-16)26-11-5-8-15(26)19(27)22-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,22,27)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466274 (US10793582, Example 115) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(cc2s1)C1(CCC1)C#N |r| Show InChI InChI=1S/C23H23N5OS/c24-15-23(9-5-10-23)17-12-19-20(25-14-17)27-22(30-19)28-11-4-8-18(28)21(29)26-13-16-6-2-1-3-7-16/h1-3,6-7,12,14,18H,4-5,8-11,13H2,(H,26,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466224 (US10793582, Example 6) Show SMILES CC1(C)CN(CCO1)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C23H28N6O2S/c1-23(2)14-28(11-12-31-23)20-18-19(25-15-26-20)27-22(32-18)29-10-6-9-17(29)21(30)24-13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,24,30)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466283 (US10793582, Example 129) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(cc2s1)C1CCOCC1 |r| Show InChI InChI=1S/C23H26N4O2S/c28-22(25-14-16-5-2-1-3-6-16)19-7-4-10-27(19)23-26-21-20(30-23)13-18(15-24-21)17-8-11-29-12-9-17/h1-3,5-6,13,15,17,19H,4,7-12,14H2,(H,25,28)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION US Patent					Assay Description To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...				US Patent US10793582 (2020) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 246 total )  |  Next  |  Last  >>

Jump to: