Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'varani' and Initial = 'g'   

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 (Homo sapiens (Human))	BDBM18795 ((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...) Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Homo sapiens (Human))	BDBM82167 (MV1555) Show SMILES Cc1c(nnn1-c1ccccc1)C(=O)NCCc1cccs1 Show InChI InChI=1S/C16H16N4OS/c1-12-15(16(21)17-10-9-14-8-5-11-22-14)18-19-20(12)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	5.00E+3	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82174 (MV1565) Show SMILES CCc1ccc(\C=N\NC(=O)c2c[nH]c3ccccc23)s1 Show InChI InChI=1S/C16H15N3OS/c1-2-11-7-8-12(21-11)9-18-19-16(20)14-10-17-15-6-4-3-5-13(14)15/h3-10,17H,2H2,1H3,(H,19,20)/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	1.00E+3	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82175 (MV1570) Show SMILES O=C(NCCc1c[nH]c2ccccc12)C(\NC(=O)c1cccs1)=C/c1cccs1 Show InChI InChI=1S/C22H19N3O2S2/c26-21(23-10-9-15-14-24-18-7-2-1-6-17(15)18)19(13-16-5-3-11-28-16)25-22(27)20-8-4-12-29-20/h1-8,11-14,24H,9-10H2,(H,23,26)(H,25,27)/b19-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	2.00E+3	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82169 (MV1586) Show SMILES O=C(NCc1cccs1)c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C14H11N3O2S/c18-13(15-9-11-7-4-8-20-11)14-16-12(17-19-14)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82170 (MV1588) Show SMILES Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1ccco1 Show InChI InChI=1S/C15H16N4O2S2/c1-9-6-12(10(2)19(9)7-11-4-3-5-21-11)13(20)8-22-15-18-17-14(16)23-15/h3-6H,7-8H2,1-2H3,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82176 (MV1576) Show SMILES CCOC(=O)c1cc2occc2n1CC(=O)N1CCc2ccccc12 Show InChI InChI=1S/C19H18N2O4/c1-2-24-19(23)16-11-17-15(8-10-25-17)21(16)12-18(22)20-9-7-13-5-3-4-6-14(13)20/h3-6,8,10-11H,2,7,9,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82173 (MV1561) Show SMILES CC(=NNC(=O)Cc1c(C)[nH]c2ccc(C)cc12)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H19N3OS/c1-11-6-7-16-15(9-11)14(12(2)19-16)10-18(22)21-20-13(3)17-5-4-8-23-17/h4-9,19H,10H2,1-3H3,(H,21,22)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82171 (MV1554) Show SMILES CCN1C(=O)c2cccc3c(NC(=O)c4cccs4)ccc1c23 Show InChI InChI=1S/C18H14N2O2S/c1-2-20-14-9-8-13(19-17(21)15-7-4-10-23-15)11-5-3-6-12(16(11)14)18(20)22/h3-10H,2H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82166 (MV1556) Show SMILES OC(=O)c1ccc(cc1)\N=C\c1ccc(s1)-c1cccs1 Show InChI InChI=1S/C16H11NO2S2/c18-16(19)11-3-5-12(6-4-11)17-10-13-7-8-15(21-13)14-2-1-9-20-14/h1-10H,(H,18,19)/b17-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82172 (MV1557) Show SMILES O=C(NN=C1C(=O)Nc2ccccc12)c1cccs1 |w:3.2| Show InChI InChI=1S/C13H9N3O2S/c17-12(10-6-3-7-19-10)16-15-11-8-4-1-2-5-9(8)14-13(11)18/h1-7H,(H,16,17)(H,14,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82168 (MV1581) Show SMILES Cc1onc(c1C(=O)NCc1cccs1)-c1ccccc1 Show InChI InChI=1S/C16H14N2O2S/c1-11-14(16(19)17-10-13-8-5-9-21-13)15(18-20-11)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82177 (MV1574) Show SMILES CC(OC(=O)c1cc2occc2n1C)C(=O)NCc1cccs1 Show InChI InChI=1S/C16H16N2O4S/c1-10(15(19)17-9-11-4-3-7-23-11)22-16(20)13-8-14-12(18(13)2)5-6-21-14/h3-8,10H,9H2,1-2H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM82178 (MV1578) Show SMILES CCOC(=O)c1cc2oc(C)cc2n1CC#N Show InChI InChI=1S/C12H12N2O3/c1-3-16-12(15)10-7-11-9(6-8(2)17-11)14(10)5-4-13/h6-7H,3,5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.5	4
University of Washington					Assay Description A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds. The inhibitory potency of human TS was determin...				Chem Biol Drug Des 76: 218-33 (2010) Article DOI: 10.1111/j.1747-0285.2010.01010.x BindingDB Entry DOI: 10.7270/Q2ZP44MF
					More data for this Ligand-Target Pair