Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'zhang' and Initial = 'xm'   

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
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350681 (CHEMBL1813771) Show SMILES C1COc2cc(ccc2O1)-c1nnc(o1)-c1cccnc1 Show InChI InChI=1S/C15H11N3O3/c1-2-11(9-16-5-1)15-18-17-14(21-15)10-3-4-12-13(8-10)20-7-6-19-12/h1-5,8-9H,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350680 (CHEMBL1813770) Show SMILES C1COc2cc(ccc2O1)-c1nnc(\C=C\c2ccccc2)o1 Show InChI InChI=1S/C18H14N2O3/c1-2-4-13(5-3-1)6-9-17-19-20-18(23-17)14-7-8-15-16(12-14)22-11-10-21-15/h1-9,12H,10-11H2/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350683 (CHEMBL1813764) Show SMILES Cc1ccccc1-c1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H14N2O3/c1-11-4-2-3-5-13(11)17-19-18-16(22-17)12-6-7-14-15(10-12)21-9-8-20-14/h2-7,10H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350684 (CHEMBL1813769) Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H18N2O6/c1-22-15-9-12(10-16(23-2)17(15)24-3)19-21-20-18(27-19)11-4-5-13-14(8-11)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357377 (CHEMBL1917268) Show SMILES Cc1ccccc1CSc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H16N2O3S/c1-12-4-2-3-5-14(12)11-24-18-20-19-17(23-18)13-6-7-15-16(10-13)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357380 (CHEMBL1917271) Show SMILES Brc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C17H13BrN2O3S/c18-13-4-1-11(2-5-13)10-24-17-20-19-16(23-17)12-3-6-14-15(9-12)22-8-7-21-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357385 (CHEMBL1917276) Show SMILES Ic1ccccc1CSc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13IN2O3S/c18-13-4-2-1-3-12(13)10-24-17-20-19-16(23-17)11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350682 (CHEMBL1813925) Show SMILES BrCc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C11H9BrN2O3/c12-6-10-13-14-11(17-10)7-1-2-8-9(5-7)16-4-3-15-8/h1-2,5H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357378 (CHEMBL1917269) Show SMILES Brc1ccccc1CSc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13BrN2O3S/c18-13-4-2-1-3-12(13)10-24-17-20-19-16(23-17)11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350685 (CHEMBL1813926) Show SMILES Clc1ccc(Oc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C16H11ClN2O4/c17-11-2-4-12(5-3-11)22-16-19-18-15(23-16)10-1-6-13-14(9-10)21-8-7-20-13/h1-6,9H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50330811 (2-Chloro-5-[[(5-(o-hydroxyl-p-methoxyphenyl)-1,3,4...) Show SMILES COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)c(O)c1 Show InChI InChI=1S/C15H12ClN3O3S/c1-21-10-3-4-11(12(20)6-10)14-18-19-15(22-14)23-8-9-2-5-13(16)17-7-9/h2-7,20H,8H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SGC7901 cells by TRAP assay				Bioorg Med Chem 18: 7836-41 (2010) Article DOI: 10.1016/j.bmc.2010.09.051 BindingDB Entry DOI: 10.7270/Q2930TDR
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357382 (CHEMBL1917273) Show SMILES Clc1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1 Show InChI InChI=1S/C17H13ClN2O3S/c18-13-3-1-2-11(8-13)10-24-17-20-19-16(23-17)12-4-5-14-15(9-12)22-7-6-21-14/h1-5,8-9H,6-7,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350686 (CHEMBL1813773) Show SMILES C1COc2cc(ccc2O1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C16H12N2O3/c1-2-4-11(5-3-1)15-17-18-16(21-15)12-6-7-13-14(10-12)20-9-8-19-13/h1-7,10H,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357384 (CHEMBL1917275) Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c(F)c1 Show InChI InChI=1S/C17H12F2N2O3S/c18-12-3-1-11(13(19)8-12)9-25-17-21-20-16(24-17)10-2-4-14-15(7-10)23-6-5-22-14/h1-4,7-8H,5-6,9H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357379 (CHEMBL1917270) Show SMILES Brc1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1 Show InChI InChI=1S/C17H13BrN2O3S/c18-13-3-1-2-11(8-13)10-24-17-20-19-16(23-17)12-4-5-14-15(9-12)22-7-6-21-14/h1-5,8-9H,6-7,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50105463 (2,7-diamino-10-ethyl-9-phenylphenanthridinium brom...) Show SMILES CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SGC7901 cells by TRAP assay				Bioorg Med Chem 18: 7836-41 (2010) Article DOI: 10.1016/j.bmc.2010.09.051 BindingDB Entry DOI: 10.7270/Q2930TDR
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357369 (CHEMBL1917260) Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C17H13N3O5S/c21-20(22)13-4-1-11(2-5-13)10-26-17-19-18-16(25-17)12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357375 (CHEMBL1917266) Show SMILES Clc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C17H13ClN2O3S/c18-13-4-1-11(2-5-13)10-24-17-20-19-16(23-17)12-3-6-14-15(9-12)22-8-7-21-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357370 (CHEMBL1917261) Show SMILES Fc1ccccc1CSc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13FN2O3S/c18-13-4-2-1-3-12(13)10-24-17-20-19-16(23-17)11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357368 (CHEMBL1917259) Show SMILES Cc1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1 Show InChI InChI=1S/C18H16N2O3S/c1-12-3-2-4-13(9-12)11-24-18-20-19-17(23-18)14-5-6-15-16(10-14)22-8-7-21-15/h2-6,9-10H,7-8,11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357376 (CHEMBL1917267) Show SMILES Ic1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-13-4-1-11(2-5-13)10-24-17-20-19-16(23-17)12-3-6-14-15(9-12)22-8-7-21-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357373 (CHEMBL1917264) Show SMILES Fc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C17H13FN2O3S/c18-13-4-1-11(2-5-13)10-24-17-20-19-16(23-17)12-3-6-14-15(9-12)22-8-7-21-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50330812 (2-Chloro-5-[[(5-(naphth-1-yl)-1,3,4-oxadiazol-2-yl...) Show SMILES Clc1ccc(CSc2nnc(o2)-c2cccc3ccccc23)cn1 Show InChI InChI=1S/C18H12ClN3OS/c19-16-9-8-12(10-20-16)11-24-18-22-21-17(23-18)15-7-3-5-13-4-1-2-6-14(13)15/h1-10H,11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SGC7901 cells by TRAP assay				Bioorg Med Chem 18: 7836-41 (2010) Article DOI: 10.1016/j.bmc.2010.09.051 BindingDB Entry DOI: 10.7270/Q2930TDR
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357374 (CHEMBL1917265) Show SMILES [O-][N+](=O)c1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1 Show InChI InChI=1S/C17H13N3O5S/c21-20(22)13-3-1-2-11(8-13)10-26-17-19-18-16(25-17)12-4-5-14-15(9-12)24-7-6-23-14/h1-5,8-9H,6-7,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357372 (CHEMBL1917263) Show SMILES Cc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C18H16N2O3S/c1-12-2-4-13(5-3-12)11-24-18-20-19-17(23-18)14-6-7-15-16(10-14)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357381 (CHEMBL1917272) Show SMILES Clc1ccccc1CSc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13ClN2O3S/c18-13-4-2-1-3-12(13)10-24-17-20-19-16(23-17)11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357367 (CHEMBL1917258) Show SMILES C(Sc1nnc(o1)-c1ccc2OCCOc2c1)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-4-12(5-3-1)11-23-17-19-18-16(22-17)13-6-7-14-15(10-13)21-9-8-20-14/h1-7,10H,8-9,11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357371 (CHEMBL1917262) Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13N3O5S/c21-20(22)13-4-2-1-3-12(13)10-26-17-19-18-16(25-17)11-5-6-14-15(9-11)24-8-7-23-14/h1-6,9H,7-8,10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357383 (CHEMBL1917274) Show SMILES Fc1cccc(F)c1CSc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H12F2N2O3S/c18-12-2-1-3-13(19)11(12)9-25-17-21-20-16(24-17)10-4-5-14-15(8-10)23-7-6-22-14/h1-5,8H,6-7,9H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591560 (CHEMBL5186032) Show SMILES COc1cc2c(CN3CCN(C)CC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.99E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50591560 (CHEMBL5186032) Show SMILES COc1cc2c(CN3CCN(C)CC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591563 (CHEMBL5209421) Show SMILES COc1cc2c(CN3CCN(Cc4coc5cc(C)c(OC)cc45)CC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.73E+7	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591562 (CHEMBL5204811) Show SMILES COc1cc2c(CN3CCCN(C)CC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591561 (CHEMBL5178098) Show SMILES COc1cc2c(CN3CCNCC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591560 (CHEMBL5186032) Show SMILES COc1cc2c(CN3CCN(C)CC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591559 (CHEMBL5179507) Show SMILES COc1cc2c(CN3CCCC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591558 (CHEMBL5207850) Show SMILES CCN(CC)Cc1coc2cc(C)c(OC)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.60E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591557 (CHEMBL5195549) Show SMILES COc1cc2c(CN(C)C)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591556 (CHEMBL5202288) Show SMILES COc1cc2c(CN)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50591555 (CHEMBL5189446) Show SMILES COc1cc2c(CO)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.20E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50591563 (CHEMBL5209421) Show SMILES COc1cc2c(CN3CCN(Cc4coc5cc(C)c(OC)cc45)CC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.20E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	5.80E+6	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50591562 (CHEMBL5204811) Show SMILES COc1cc2c(CN3CCCN(C)CC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50591561 (CHEMBL5178098) Show SMILES COc1cc2c(CN3CCNCC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50591560 (CHEMBL5186032) Show SMILES COc1cc2c(CN3CCN(C)CC3)coc2cc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d2md00156j BindingDB Entry DOI: 10.7270/Q27948N7
					More data for this Ligand-Target Pair

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