Compile Data Set for Download or QSAR

Found 31548 hits with Last Name = 'su' and Initial = 'j'   

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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349326 (CHEMBL1807657) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H21N3O4/c1-16(15-24-17(2)23-14-21(24)25(27)28)29-22(26)13-10-18-8-11-20(12-9-18)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3/b13-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00000156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349327 (CHEMBL1807658) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O5/c1-17(15-25-18(2)24-14-22(25)26(28)29)31-23(27)13-10-19-8-11-21(12-9-19)30-16-20-6-4-3-5-7-20/h3-14,17H,15-16H2,1-2H3/b13-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349331 (CHEMBL1807660) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H15Cl2N3O4/c1-10(9-20-11(2)19-8-15(20)21(23)24)25-16(22)6-4-12-3-5-13(17)7-14(12)18/h3-8,10H,9H2,1-2H3/b6-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0000261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349332 (CHEMBL1807926) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc(F)c1 Show InChI InChI=1S/C16H16FN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)7-6-13-4-3-5-14(17)8-13/h3-9,11H,10H2,1-2H3/b7-6+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0000336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349324 (CHEMBL1807653) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C16H16ClN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-5-13-3-6-14(17)7-4-13/h3-9,11H,10H2,1-2H3/b8-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0000640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349314 (CHEMBL1807923) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1Cl Show InChI InChI=1S/C16H16ClN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-7-13-5-3-4-6-14(13)17/h3-9,11H,10H2,1-2H3/b8-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0000652	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349325 (CHEMBL1807654) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(Br)cc1 Show InChI InChI=1S/C16H16BrN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-5-13-3-6-14(17)7-4-13/h3-9,11H,10H2,1-2H3/b8-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0000799	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349328 (CHEMBL1807659) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(cc1)N(C)C Show InChI InChI=1S/C18H22N4O4/c1-13(12-21-14(2)19-11-17(21)22(24)25)26-18(23)10-7-15-5-8-16(9-6-15)20(3)4/h5-11,13H,12H2,1-4H3/b10-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349317 (CHEMBL1807929) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(F)cc1 Show InChI InChI=1S/C16H16FN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-5-13-3-6-14(17)7-4-13/h3-9,11H,10H2,1-2H3/b8-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349323 (CHEMBL1807927) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc(Br)c1 Show InChI InChI=1S/C16H16BrN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)7-6-13-4-3-5-14(17)8-13/h3-9,11H,10H2,1-2H3/b7-6+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349329 (CHEMBL1807661) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccc2ccccc12 Show InChI InChI=1S/C20H19N3O4/c1-14(13-22-15(2)21-12-19(22)23(25)26)27-20(24)11-10-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3/b11-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000443	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349320 (CHEMBL1807662) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc2ccccc2c1 Show InChI InChI=1S/C20H19N3O4/c1-14(13-22-15(2)21-12-19(22)23(25)26)27-20(24)10-8-16-7-9-17-5-3-4-6-18(17)11-16/h3-12,14H,13H2,1-2H3/b10-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000526	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349322 (CHEMBL1807924) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1Br Show InChI InChI=1S/C16H16BrN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-7-13-5-3-4-6-14(13)17/h3-9,11H,10H2,1-2H3/b8-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000529	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349321 (CHEMBL1807663) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1cccs1 Show InChI InChI=1S/C14H15N3O4S/c1-10(9-16-11(2)15-8-13(16)17(19)20)21-14(18)6-5-12-4-3-7-22-12/h3-8,10H,9H2,1-2H3/b6-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.000555	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349319 (CHEMBL1807656) Show SMILES COc1ccc(\C=C\C(=O)OC(C)Cn2c(C)ncc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C17H19N3O5/c1-12(11-19-13(2)18-10-16(19)20(22)23)25-17(21)9-6-14-4-7-15(24-3)8-5-14/h4-10,12H,11H2,1-3H3/b9-6+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349318 (CHEMBL1807655) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccc(C)cc1 Show InChI InChI=1S/C17H19N3O4/c1-12-4-6-15(7-5-12)8-9-17(21)24-13(2)11-19-14(3)18-10-16(19)20(22)23/h4-10,13H,11H2,1-3H3/b9-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000896	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349313 (CHEMBL1807922) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1F Show InChI InChI=1S/C16H16FN3O4/c1-11(10-19-12(2)18-9-15(19)20(22)23)24-16(21)8-7-13-5-3-4-6-14(13)17/h3-9,11H,10H2,1-2H3/b8-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000975	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349312 (CHEMBL1807921) Show SMILES CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C16H17N3O4/c1-12(11-18-13(2)17-10-15(18)19(21)22)23-16(20)9-8-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3/b9-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.00132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349315 (CHEMBL1807925) Show SMILES COc1ccccc1\C=C\C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C17H19N3O5/c1-12(11-19-13(2)18-10-16(19)20(22)23)25-17(21)9-8-14-6-4-5-7-15(14)24-3/h4-10,12H,11H2,1-3H3/b9-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511450 (CHEMBL4436749) Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50511450 (CHEMBL4436749) Show SMILES CC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C Show InChI InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420 BindingDB Entry DOI: 10.7270/Q2PV6PPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli)	BDBM22113 ((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate assessed as inhibition...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50349316 (CHEMBL1807928) Show SMILES COc1cccc(\C=C\C(=O)OC(C)Cn2c(C)ncc2[N+]([O-])=O)c1 Show InChI InChI=1S/C17H19N3O5/c1-12(11-19-13(2)18-10-16(19)20(22)23)25-17(21)8-7-14-5-4-6-15(9-14)24-3/h4-10,12H,11H2,1-3H3/b8-7+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...				Bioorg Med Chem 19: 4513-9 (2011) Article DOI: 10.1016/j.bmc.2011.06.021 BindingDB Entry DOI: 10.7270/Q2XK8FWX
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464108 (CHEMBL4241824) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450717 (CHEMBL317087) Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1Br Show InChI InChI=1S/C9H10BrClN2O/c10-8-3-7(4-13-9(8)11)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5H2/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464104 (CHEMBL4244784) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C28H37N3O3/c32-27(33)16-25(23-4-1-3-22(15-23)24-11-14-34-19-24)18-31-13-10-20(17-31)6-8-26-9-7-21-5-2-12-29-28(21)30-26/h1,3-4,7,9,15,20,24-25H,2,5-6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,24?,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450726 (CHEMBL407258) Show SMILES Brc1ccc(OC[C@@H]2CCN2)cn1 Show InChI InChI=1S/C9H11BrN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450734 (CHEMBL318869) Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccccc1 Show InChI InChI=1S/C15H15ClN2O/c16-15-14(11-4-2-1-3-5-11)8-13(9-18-15)19-10-12-6-7-17-12/h1-5,8-9,12,17H,6-7,10H2/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450710 (CHEMBL97555) Show SMILES Clc1cc(OC[C@@H]2CCN2)cnc1Cl Show InChI InChI=1S/C9H10Cl2N2O/c10-8-3-7(4-13-9(8)11)14-5-6-1-2-12-6/h3-4,6,12H,1-2,5H2/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450720 (CHEMBL94683) Show SMILES N#Cc1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C10H11N3O/c11-4-8-3-10(6-12-5-8)14-7-9-1-2-13-9/h3,5-6,9,13H,1-2,7H2/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464110 (CHEMBL4238909) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 50: 2391-8 (2007) Article DOI: 10.1021/jm061321+ BindingDB Entry DOI: 10.7270/Q2NC6407
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50346951 (CHEMBL1795711 | CHEMBL1795714) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r| Show InChI InChI=1S/C27H29IN2O4/c28-18-3-1-2-17(12-18)25(32)29-19-8-9-27(33)21-13-16-6-7-20(31)23-22(16)26(27,24(19)34-23)10-11-30(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,31,33H,4-5,8-11,13-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins				J Med Chem 55: 6352-62 (2012) Article DOI: 10.1021/jm300305c BindingDB Entry DOI: 10.7270/Q2930V8C
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464123 (CHEMBL4242263) Show SMILES Cc1cc(C)n(n1)-c1cc(cc(c1)N1CCOCC1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C33H44N6O3/c1-23-16-24(2)39(36-23)31-18-27(17-30(20-31)38-12-14-42-15-13-38)28(19-32(40)41)22-37-11-9-25(21-37)5-7-29-8-6-26-4-3-10-34-33(26)35-29/h6,8,16-18,20,25,28H,3-5,7,9-15,19,21-22H2,1-2H3,(H,34,35)(H,40,41)/t25-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450712 (CHEMBL96604) Show SMILES CCOc1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C11H16N2O2/c1-2-14-10-5-11(7-12-6-10)15-8-9-3-4-13-9/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450713 (CHEMBL96837) Show SMILES CCCc1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C12H18N2O/c1-2-3-10-6-12(8-13-7-10)15-9-11-4-5-14-11/h6-8,11,14H,2-5,9H2,1H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464118 (CHEMBL4249172) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@H]2CCOC2)c1 |r| Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464119 (CHEMBL4241584) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnn1 |r| Show InChI InChI=1S/C26H32N6O2/c33-25(34)16-22(21-3-1-5-24(15-21)32-14-12-28-30-32)18-31-13-10-19(17-31)6-8-23-9-7-20-4-2-11-27-26(20)29-23/h1,3,5,7,9,12,14-15,19,22H,2,4,6,8,10-11,13,16-18H2,(H,27,29)(H,33,34)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464108 (CHEMBL4241824) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464124 (CHEMBL4249629) Show SMILES Cc1nc(C)c([nH]1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-19-28(32-20(2)31-19)24-6-3-5-23(15-24)25(16-27(35)36)18-34-14-12-21(17-34)8-10-26-11-9-22-7-4-13-30-29(22)33-26/h3,5-6,9,11,15,21,25H,4,7-8,10,12-14,16-18H2,1-2H3,(H,30,33)(H,31,32)(H,35,36)/t21-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Neuropharmacology 35: 725-34 (1996) Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Neuropharmacology 35: 725-34 (1996) Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50062639 (5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@@H]2CCN2)cn1 Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450723 (CHEMBL95113) Show SMILES Clc1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C9H11ClN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50072110 (3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine |...) Show SMILES C(Oc1cncc(c1)-c1ccccc1)[C@@H]1CCN1 Show InChI InChI=1S/C15H16N2O/c1-2-4-12(5-3-1)13-8-15(10-16-9-13)18-11-14-6-7-17-14/h1-5,8-10,14,17H,6-7,11H2/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450728 (CHEMBL96431) Show SMILES Cc1cncc(OC[C@@H]2CCN2)c1 Show InChI InChI=1S/C10H14N2O/c1-8-4-10(6-11-5-8)13-7-9-2-3-12-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli)	BDBM22113 ((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50066788 ((S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine | 3-...) Show SMILES Fc1ncccc1OC[C@@H]1CCN1 Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50049750 ((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...) Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r| Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Neuropharmacology 35: 725-34 (1996) Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N
					More data for this Ligand-Target Pair

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