Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'yoshimatsu' and Initial = 'k'   

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
Thymidylate synthase (Lactobacillus casei)	BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1 Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against TS				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1 Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dihydrofolate reductase				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50041670 (2-{4-[2-(2-Amino-4-hydroxy-6,7-dihydro-5H-cyclopen...) Show SMILES Nc1nc2CCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H24N4O6/c22-21-24-14-8-7-12(17(14)19(29)25-21)4-1-11-2-5-13(6-3-11)18(28)23-15(20(30)31)9-10-16(26)27/h2-3,5-6,12,15H,1,4,7-10H2,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in P388 cells				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041672 (2-{4-[3-(2,4-Diamino-6,7-dihydro-5H-cyclopentapyri...) Show SMILES Nc1nc2CCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(N)n1 Show InChI InChI=1S/C22H27N5O5/c23-19-18-13(8-9-15(18)26-22(24)27-19)3-1-2-12-4-6-14(7-5-12)20(30)25-16(21(31)32)10-11-17(28)29/h4-7,13,16H,1-3,8-11H2,(H,25,30)(H,28,29)(H,31,32)(H4,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50016460 ((S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-prop...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair				3D Structure (docked)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in P388 cells				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50041672 (2-{4-[3-(2,4-Diamino-6,7-dihydro-5H-cyclopentapyri...) Show SMILES Nc1nc2CCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(N)n1 Show InChI InChI=1S/C22H27N5O5/c23-19-18-13(8-9-15(18)26-22(24)27-19)3-1-2-12-4-6-14(7-5-12)20(30)25-16(21(31)32)10-11-17(28)29/h4-7,13,16H,1-3,8-11H2,(H,25,30)(H,28,29)(H,31,32)(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in P388 cells				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50016460 ((S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-prop...) Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in P388 cells				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041673 (2-{4-[2-(2,4-Diamino-6,7-dihydro-5H-cyclopentapyri...) Show SMILES Nc1nc2CCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(N)n1 Show InChI InChI=1S/C21H25N5O5/c22-18-17-12(7-8-14(17)25-21(23)26-18)4-1-11-2-5-13(6-3-11)19(29)24-15(20(30)31)9-10-16(27)28/h2-3,5-6,12,15H,1,4,7-10H2,(H,24,29)(H,27,28)(H,30,31)(H4,22,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50041671 (2-{4-[3-(2-Amino-4-hydroxy-6,7-dihydro-5H-cyclopen...) Show SMILES Nc1nc2CCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C22H26N4O6/c23-22-25-15-9-8-13(18(15)20(30)26-22)3-1-2-12-4-6-14(7-5-12)19(29)24-16(21(31)32)10-11-17(27)28/h4-7,13,16H,1-3,8-11H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in P388 cells				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50041673 (2-{4-[2-(2,4-Diamino-6,7-dihydro-5H-cyclopentapyri...) Show SMILES Nc1nc2CCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(N)n1 Show InChI InChI=1S/C21H25N5O5/c22-18-17-12(7-8-14(17)25-21(23)26-18)4-1-11-2-5-13(6-3-11)19(29)24-15(20(30)31)9-10-16(27)28/h2-3,5-6,12,15H,1,4,7-10H2,(H,24,29)(H,27,28)(H,30,31)(H4,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in P388 cells				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50120465 (CHEMBL281995 | N-(2-Chloro-1H-indol-7-yl)-4-methox...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc2cc(Cl)[nH]c12 Show InChI InChI=1S/C15H13ClN2O3S/c1-21-11-5-7-12(8-6-11)22(19,20)18-13-4-2-3-10-9-14(16)17-15(10)13/h2-9,17-18H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50101086 (CHEMBL20684 | E-7010 | N-(2-(4-hydroxyphenylamino)...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1 Show InChI InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50120462 (CHEMBL20289 | N-(3-Chloro-1H-indol-7-yl)-4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C15H13ClN2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-14-4-2-3-12-13(16)9-17-15(12)14/h2-9,17-18H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473974 (CHEMBL146194) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2cc[nH]c12 Show InChI InChI=1S/C14H13N3O4S2/c15-22(18,19)11-4-6-12(7-5-11)23(20,21)17-13-3-1-2-10-8-9-16-14(10)13/h1-9,16-17H,(H2,15,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473975 (CHEMBL20814) Show SMILES Clc1c[nH]c2c(NS(=O)(=O)c3ccc(cc3)C#N)cccc12 Show InChI InChI=1S/C15H10ClN3O2S/c16-13-9-18-15-12(13)2-1-3-14(15)19-22(20,21)11-6-4-10(8-17)5-7-11/h1-7,9,18-19H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473976 (CHEMBL358114) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C15H12ClN3O3S/c16-12-8-18-14-11(12)2-1-3-13(14)19-15(20)9-4-6-10(7-5-9)23(17,21)22/h1-8,18H,(H,19,20)(H2,17,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair