Compile Data Set for Download or QSAR

Found 297 hits with Last Name = 'santucci' and Initial = 'm'   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of DHFR (unknown origin)				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50433811 (CHEMBL2382332) Show SMILES CC(C)c1ccc(cc1)N(C)c1cnc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86859 (CAS_1327207 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...) Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 Show InChI InChI=1S/C16H11BrClN3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86863 (CAS_4390766 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1cccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405066 (CHEMBL268088) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Br)c1 |t:3,6| Show InChI InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86875 (CAS_685639 | N-(5-(benzylthio)-1,3,4-thiadiazol-2-...) Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 Show InChI InChI=1S/C16H12FN3OS2/c17-13-8-6-12(7-9-13)14(21)18-15-19-20-16(23-15)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86874 (CAS_44454498 | N-(5-(3-chlorobenzylthio)-1,3,4-thi...) Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 Show InChI InChI=1S/C16H11Cl2N3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86857 (CAS_44454939 | N-(5-(4-nitrobenzylthio)-1,3,4-thia...) Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 Show InChI InChI=1S/C16H11ClN4O3S2/c17-13-4-2-1-3-12(13)14(22)18-15-19-20-16(26-15)25-9-10-5-7-11(8-6-10)21(23)24/h1-8H,9H2,(H,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86868 (CAS_3643794 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...) Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 Show InChI InChI=1S/C16H11BrFN3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86856 (CAS_44454904 | N-(5-(4-nitrobenzylthio)-1,3,4-thia...) Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 Show InChI InChI=1S/C16H11ClN4O3S2/c17-12-5-3-11(4-6-12)14(22)18-15-19-20-16(26-15)25-9-10-1-7-13(8-2-10)21(23)24/h1-8H,9H2,(H,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50090054 (1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86860 (CAS_3320545 | N-(5-(4-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-5-3-11(4-6-12)14(22)19-15-20-21-16(24-15)23-9-10-1-7-13(18)8-2-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50090069 (1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50291793 (6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(F)(F)F |t:3,6| Show InChI InChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86856 (CAS_44454904 | N-(5-(4-nitrobenzylthio)-1,3,4-thia...) Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 Show InChI InChI=1S/C16H11ClN4O3S2/c17-12-5-3-11(4-6-12)14(22)18-15-19-20-16(26-15)25-9-10-1-7-13(8-2-10)21(23)24/h1-8H,9H2,(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86867 (CAS_4573026 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(F)c2)s1 Show InChI InChI=1S/C16H11F2N3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86866 (CAS_44454722 | N-(5-(3-chlorobenzylthio)-1,3,4-thi...) Show SMILES Clc1cccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1 Show InChI InChI=1S/C16H11Cl2N3OS2/c17-11-5-3-4-10(8-11)9-23-16-21-20-15(24-16)19-14(22)12-6-1-2-7-13(12)18/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86870 (CAS_44454776 | N-(5-(4-nitrobenzylthio)-1,3,4-thia...) Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI InChI=1S/C16H11FN4O3S2/c17-12-5-3-11(4-6-12)14(22)18-15-19-20-16(26-15)25-9-10-1-7-13(8-2-10)21(23)24/h1-8H,9H2,(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86864 (CAS_44454803 | N-(5-(4-methoxybenzylthio)-1,3,4-th...) Show SMILES COc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 Show InChI InChI=1S/C17H14ClN3O2S2/c1-23-14-8-2-11(3-9-14)10-24-17-21-20-16(25-17)19-15(22)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86874 (CAS_44454498 | N-(5-(3-chlorobenzylthio)-1,3,4-thi...) Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 Show InChI InChI=1S/C16H11Cl2N3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86872 (CAS_42805643 | N-(5-(4-methoxybenzylthio)-1,3,4-th...) Show SMILES COc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI InChI=1S/C17H14FN3O2S2/c1-23-14-8-2-11(3-9-14)10-24-17-21-20-16(25-17)19-15(22)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86864 (CAS_44454803 | N-(5-(4-methoxybenzylthio)-1,3,4-th...) Show SMILES COc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 Show InChI InChI=1S/C17H14ClN3O2S2/c1-23-14-8-2-11(3-9-14)10-24-17-21-20-16(25-17)19-15(22)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86860 (CAS_3320545 | N-(5-(4-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-5-3-11(4-6-12)14(22)19-15-20-21-16(24-15)23-9-10-1-7-13(18)8-2-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86870 (CAS_44454776 | N-(5-(4-nitrobenzylthio)-1,3,4-thia...) Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI InChI=1S/C16H11FN4O3S2/c17-12-5-3-11(4-6-12)14(22)18-15-19-20-16(26-15)25-9-10-1-7-13(8-2-10)21(23)24/h1-8H,9H2,(H,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86859 (CAS_1327207 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...) Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 Show InChI InChI=1S/C16H11BrClN3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86863 (CAS_4390766 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1cccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86857 (CAS_44454939 | N-(5-(4-nitrobenzylthio)-1,3,4-thia...) Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 Show InChI InChI=1S/C16H11ClN4O3S2/c17-13-4-2-1-3-12(13)14(22)18-15-19-20-16(26-15)25-9-10-5-7-11(8-6-10)21(23)24/h1-8H,9H2,(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86868 (CAS_3643794 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...) Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 Show InChI InChI=1S/C16H11BrFN3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86873 (CAS_3448811 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...) Show SMILES Clc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 Show InChI InChI=1S/C16H11BrClN3OS2/c17-11-7-5-10(6-8-11)9-23-16-21-20-15(24-16)19-14(22)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86862 (CAS_40833444 | N-(5-(3-chlorobenzylthio)-1,3,4-thi...) Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-3-1-2-10(8-12)9-23-16-21-20-15(24-16)19-14(22)11-4-6-13(18)7-5-11/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86872 (CAS_42805643 | N-(5-(4-methoxybenzylthio)-1,3,4-th...) Show SMILES COc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI InChI=1S/C17H14FN3O2S2/c1-23-14-8-2-11(3-9-14)10-24-17-21-20-16(25-17)19-15(22)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86865 (CAS_44454721 | N-(5-(4-methoxybenzylthio)-1,3,4-th...) Show SMILES COc1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 Show InChI InChI=1S/C17H14ClN3O2S2/c1-23-12-8-6-11(7-9-12)10-24-17-21-20-16(25-17)19-15(22)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86858 (CAS_2192320 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1cccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-13-7-2-1-6-12(13)14(22)19-15-20-21-16(24-15)23-9-10-4-3-5-11(18)8-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86871 (CAS_7946867 | N-(5-(benzylthio)-1,3,4-thiadiazol-2...) Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 Show InChI InChI=1S/C16H12ClN3OS2/c17-13-8-6-12(7-9-13)14(21)18-15-19-20-16(23-15)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50230100 (4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 Show InChI InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86862 (CAS_40833444 | N-(5-(3-chlorobenzylthio)-1,3,4-thi...) Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-12-3-1-2-10(8-12)9-23-16-21-20-15(24-16)19-14(22)11-4-6-13(18)7-5-11/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	369	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50187566 (4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzam...) Show SMILES Ic1ccc(cc1)C(=O)Nc1nnc(CCc2ccccc2)s1 Show InChI InChI=1S/C17H14IN3OS/c18-14-9-7-13(8-10-14)16(22)19-17-21-20-15(23-17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86871 (CAS_7946867 | N-(5-(benzylthio)-1,3,4-thiadiazol-2...) Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 Show InChI InChI=1S/C16H12ClN3OS2/c17-13-8-6-12(7-9-13)14(21)18-15-19-20-16(23-15)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86861 (CAS_2363161 | N-(5-(4-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-13-4-2-1-3-12(13)14(22)19-15-20-21-16(24-15)23-9-10-5-7-11(18)8-6-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	406	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18792 (1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)	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	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86875 (CAS_685639 | N-(5-(benzylthio)-1,3,4-thiadiazol-2-...) Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 Show InChI InChI=1S/C16H12FN3OS2/c17-13-8-6-12(7-9-13)14(21)18-15-19-20-16(23-15)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	464	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Farmacia, Università di Genova, Viale Benedetto XV 3, 16132 Genova, Italy. Electronic address: tonelli@difar.unige.it. Curated by ChEMBL					Assay Description Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis				Eur J Med Chem 135: 467-478 (2017) Article DOI: 10.1016/j.ejmech.2017.04.070 BindingDB Entry DOI: 10.7270/Q2057JD0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86873 (CAS_3448811 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...) Show SMILES Clc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 Show InChI InChI=1S/C16H11BrClN3OS2/c17-11-7-5-10(6-8-11)9-23-16-21-20-15(24-16)19-14(22)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50449542 (CHEMBL4170787) Show SMILES NC1=NC2(CCN(CC2)C(=O)Nc2ccc(F)cc2)N(C(N)=N1)c1cccc(Cl)c1 |c:23,t:1| Show InChI InChI=1S/C20H21ClFN7O/c21-13-2-1-3-16(12-13)29-18(24)26-17(23)27-20(29)8-10-28(11-9-20)19(30)25-15-6-4-14(22)5-7-15/h1-7,12H,8-11H2,(H,25,30)(H4,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Binding affinity to human recombinant DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric method				Eur J Med Chem 155: 229-243 (2018) Article DOI: 10.1016/j.ejmech.2018.05.059 BindingDB Entry DOI: 10.7270/Q29Z97GN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86867 (CAS_4573026 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1ccc(cc1)C(=O)Nc1nnc(SCc2cccc(F)c2)s1 Show InChI InChI=1S/C16H11F2N3OS2/c17-12-6-4-11(5-7-12)14(22)19-15-20-21-16(24-15)23-9-10-2-1-3-13(18)8-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	569	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50449541 (CHEMBL4167391) Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CC1)N=C(N)N=C(N)N2c1cccc(Cl)c1 |t:17,20| Show InChI InChI=1S/C21H23ClN6O/c1-14-5-7-15(8-6-14)18(29)27-11-9-21(10-12-27)26-19(23)25-20(24)28(21)17-4-2-3-16(22)13-17/h2-8,13H,9-12H2,1H3,(H4,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Binding affinity to human recombinant DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric method				Eur J Med Chem 155: 229-243 (2018) Article DOI: 10.1016/j.ejmech.2018.05.059 BindingDB Entry DOI: 10.7270/Q29Z97GN
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM86858 (CAS_2192320 | N-(5-(3-fluorobenzylthio)-1,3,4-thia...) Show SMILES Fc1cccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1 Show InChI InChI=1S/C16H11ClFN3OS2/c17-13-7-2-1-6-12(13)14(22)19-15-20-21-16(24-15)23-9-10-4-3-5-11(18)8-10/h1-8H,9H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	718	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM86866 (CAS_44454722 | N-(5-(3-chlorobenzylthio)-1,3,4-thi...) Show SMILES Clc1cccc(CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1 Show InChI InChI=1S/C16H11Cl2N3OS2/c17-11-5-3-4-10(8-11)9-23-16-21-20-15(24-16)19-14(22)12-6-1-2-7-13(12)18/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrov; degli Studi di Siena Curated by PDSP Ki Database									Bioorg Med Chem Lett 18: 1207-11 (2008) Article DOI: 10.1016/j.bmcl.2007.11.112 BindingDB Entry DOI: 10.7270/Q23R0RF2
					More data for this Ligand-Target Pair

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