Compile Data Set for Download or QSAR

Found 2752 hits with Last Name = 'jung' and Initial = 'me'   

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
Serine/threonine-protein kinase 17B (Homo sapiens (Human))	BDBM50166121 (CHEMBL3797480) Show SMILES CCCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1 Show InChI InChI=1S/C21H20N4O3/c1-2-3-8-17(26)22-12-9-10-16-14(11-12)18(21(27)24-16)20-19(25-28)13-6-4-5-7-15(13)23-20/h4-7,9-11,23,28H,2-3,8H2,1H3,(H,22,26)(H,24,27)/b20-18-,25-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Competitive inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated for 2 hrs by Lineweaver-Burk plot analysis in presence of...				Bioorg Med Chem Lett 26: 2719-23 (2016) Article DOI: 10.1016/j.bmcl.2016.03.111 BindingDB Entry DOI: 10.7270/Q2N29ZTZ
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440172 (CHEMBL2426574) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1 Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440172 (CHEMBL2426574) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1 Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK (unknown origin) by steady-state kinetic assay				J Med Chem 56: 6696-708 (2013) Article DOI: 10.1021/jm400457y BindingDB Entry DOI: 10.7270/Q2JS9RWP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440176 (CHEMBL2426570) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCO)c1 Show InChI InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440173 (CHEMBL2426573) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1 Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK (unknown origin) by steady-state kinetic assay				J Med Chem 56: 6696-708 (2013) Article DOI: 10.1021/jm400457y BindingDB Entry DOI: 10.7270/Q2JS9RWP
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440173 (CHEMBL2426573) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1 Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50313283 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12| Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50313283 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12| Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of 5-HT2A receptor				Bioorg Med Chem Lett 20: 1705-11 (2010) Article DOI: 10.1016/j.bmcl.2010.01.093 BindingDB Entry DOI: 10.7270/Q2SN093C
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440151 (CHEMBL2426558) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1 Show InChI InChI=1S/C20H24FN5O2S2/c1-3-4-16-13(11-29-20-25-17(22)10-18(23)26-20)24-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H4,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK (unknown origin) by steady-state kinetic assay				J Med Chem 56: 6696-708 (2013) Article DOI: 10.1021/jm400457y BindingDB Entry DOI: 10.7270/Q2JS9RWP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50031352 (CHEMBL3358091) Show SMILES CCCc1sc(nc1CSc1nccc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1 Show InChI InChI=1S/C22H28N4O3S2/c1-5-6-18-15(12-30-21-24-10-9-19(23)26-21)25-20(31-18)14-7-8-16(28-4)17(11-14)29-13-22(2,3)27/h7-11,27H,5-6,12-13H2,1-4H3,(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440181 (CHEMBL2426565) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(OCCNS(C)(=O)=O)c1 Show InChI InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440179 (CHEMBL2426567) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OCCO)c(OCCO)c1 Show InChI InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50313283 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12| Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Binding affinity to SERT				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50313283 (1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...) Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1 |t:12| Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 20: 1705-11 (2010) Article DOI: 10.1016/j.bmcl.2010.01.093 BindingDB Entry DOI: 10.7270/Q2SN093C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50069447 (1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...) Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50031349 (CHEMBL3358094) Show SMILES COc1ccc(cc1OCCF)-c1nc(C(C)Sc2nc(N)cc(N)n2)c(C)s1 Show InChI InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440178 (CHEMBL2426568) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(O)c1 Show InChI InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50031337 (CHEMBL3358097) Show SMILES COc1ccc(cc1OCCNS(C)(=O)=O)-c1nc([C@@H](C)Sc2nc(N)cc(N)n2)c(C)s1 |r| Show InChI InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440140 (CHEMBL2426588) Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)c(C)s1 Show InChI InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK (unknown origin) by steady-state kinetic assay				J Med Chem 56: 6696-708 (2013) Article DOI: 10.1021/jm400457y BindingDB Entry DOI: 10.7270/Q2JS9RWP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50031339 (CHEMBL3358096) Show SMILES CCOc1cc(ccc1OCCOCCOCCOC)-c1nc([C@@H](C)Sc2nc(N)cc(N)n2)c(C)s1 |r| Show InChI InChI=1S/C25H35N5O5S2/c1-5-34-20-14-18(6-7-19(20)35-13-12-33-11-10-32-9-8-31-4)24-30-23(16(2)36-24)17(3)37-25-28-21(26)15-22(27)29-25/h6-7,14-15,17H,5,8-13H2,1-4H3,(H4,26,27,28,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50031350 (CHEMBL3358093) Show SMILES CCCc1sc(nc1C(C)Sc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1 Show InChI InChI=1S/C21H26FN5O2S2/c1-4-5-16-19(12(2)30-21-25-17(23)11-18(24)26-21)27-20(31-16)13-6-7-14(28-3)15(10-13)29-9-8-22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50313284 ((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...) Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r| Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 20: 1705-11 (2010) Article DOI: 10.1016/j.bmcl.2010.01.093 BindingDB Entry DOI: 10.7270/Q2SN093C
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50313284 ((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...) Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r| Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Binding affinity to SERT				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50313284 ((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...) Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r| Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Inhibition of 5-HT2A receptor				Bioorg Med Chem Lett 20: 1705-11 (2010) Article DOI: 10.1016/j.bmcl.2010.01.093 BindingDB Entry DOI: 10.7270/Q2SN093C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50313284 ((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...) Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12 |r| Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Binding affinity to SERT				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50069447 (1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...) Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1 Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Binding affinity to SERT				J Med Chem 54: 6305-18 (2011) Article DOI: 10.1021/jm200682b BindingDB Entry DOI: 10.7270/Q2SX6DMC
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50031338 (CHEMBL3358090) Show SMILES COc1ccc(cc1OCCNS(C)(=O)=O)-c1nc([C@H](C)Sc2nc(N)cc(N)n2)c(C)s1 |r| Show InChI InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	585	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50031351 (CHEMBL3358092) Show SMILES CCCc1sc(nc1CSc1cc(N)nc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1 Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-19-10-18(23)26-21(24)27-19)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	735	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50031340 (CHEMBL3358095) Show SMILES CCOc1cc(ccc1OCCOCCOCCOC)-c1nc([C@H](C)Sc2nc(N)cc(N)n2)c(C)s1 |r| Show InChI InChI=1S/C25H35N5O5S2/c1-5-34-20-14-18(6-7-19(20)35-13-12-33-11-10-32-9-8-31-4)24-30-23(16(2)36-24)17(3)37-25-28-21(26)15-22(27)29-25/h6-7,14-15,17H,5,8-13H2,1-4H3,(H4,26,27,28,29)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM538119 (US11253516, Example 21) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCC(CC1)N1CCNCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM538135 (US11253516, Example 37) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(N)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM538139 (US11253516, Example 41) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCC(CC1)NCCO Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM538108 (US11253516, Example 10) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM538123 (US11253516, Example 25) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCN(CC1)C1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM538134 (US11253516, Example 36) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(N)(=O)=O)n1)N1CCC(CC1)N(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM538137 (US11253516, Example 39) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCC(CC1)NC(C)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM538140 (US11253516, Example 42) Show SMILES COCCNC1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM538125 (US11253516, Example 27) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCN(CC1)C1CCNCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM159472 (US9034921, E114) Show SMILES CCOc1ccc(Cc2cc(cc(OC)c2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C22H27ClO6S/c1-4-28-15-7-5-12(6-8-15)9-13-10-14(11-16(27-2)17(13)23)21-19(25)18(24)20(26)22(29-21)30-3/h5-8,10-11,18-22,24-26H,4,9H2,1-3H3/t18-,19-,20+,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.308	n/a	n/a	n/a	n/a	7.4	37
GREEN CROSS CORPORATION US Patent					Assay Description For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...				US Patent US9034921 (2015) BindingDB Entry DOI: 10.7270/Q2QF8RMT
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM159528 (US9034921, E171 | US9340521, E028) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(C=C)cc2)c(Cl)c2OCCc12 |r| Show InChI InChI=1S/C23H25ClO6/c1-2-12-3-5-13(6-4-12)9-14-10-16(15-7-8-29-22(15)18(14)24)23-21(28)20(27)19(26)17(11-25)30-23/h2-6,10,17,19-21,23,25-28H,1,7-9,11H2/t17-,19-,20+,21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.366	n/a	n/a	n/a	n/a	7.4	37
GREEN CROSS CORPORATION US Patent					Assay Description For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...				US Patent US9034921 (2015) BindingDB Entry DOI: 10.7270/Q2QF8RMT
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM159516 (US9034921, E158 | US9340521, E024) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2OCOc12 |r| Show InChI InChI=1S/C23H25ClO7/c24-17-14(7-11-1-3-12(4-2-11)13-5-6-13)8-15(22-23(17)30-10-29-22)21-20(28)19(27)18(26)16(9-25)31-21/h1-4,8,13,16,18-21,25-28H,5-7,9-10H2/t16-,18-,19+,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.366	n/a	n/a	n/a	n/a	7.4	37
GREEN CROSS CORPORATION US Patent					Assay Description For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...				US Patent US9034921 (2015) BindingDB Entry DOI: 10.7270/Q2QF8RMT
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM159528 (US9034921, E171 | US9340521, E028) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(C=C)cc2)c(Cl)c2OCCc12 |r| Show InChI InChI=1S/C23H25ClO6/c1-2-12-3-5-13(6-4-12)9-14-10-16(15-7-8-29-22(15)18(14)24)23-21(28)20(27)19(26)17(11-25)30-23/h2-6,10,17,19-21,23,25-28H,1,7-9,11H2/t17-,19-,20+,21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128466 BindingDB Entry DOI: 10.7270/Q24J0K5N
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM159528 (US9034921, E171 | US9340521, E028) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(C=C)cc2)c(Cl)c2OCCc12 |r| Show InChI InChI=1S/C23H25ClO6/c1-2-12-3-5-13(6-4-12)9-14-10-16(15-7-8-29-22(15)18(14)24)23-21(28)20(27)19(26)17(11-25)30-23/h2-6,10,17,19-21,23,25-28H,1,7-9,11H2/t17-,19-,20+,21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	7.4	37
GREEN CROSS CORPORATION US Patent					Assay Description For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...				US Patent US9340521 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60CH
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM159516 (US9034921, E158 | US9340521, E024) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2OCOc12 |r| Show InChI InChI=1S/C23H25ClO7/c24-17-14(7-11-1-3-12(4-2-11)13-5-6-13)8-15(22-23(17)30-10-29-22)21-20(28)19(27)18(26)16(9-25)31-21/h1-4,8,13,16,18-21,25-28H,5-7,9-10H2/t16-,18-,19+,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	7.4	37
GREEN CROSS CORPORATION US Patent					Assay Description For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...				US Patent US9340521 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60CH
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM159520 (US9034921, E162 | US9340521, E026) Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3OCOc3c2Cl)cc1 |r| Show InChI InChI=1S/C22H25ClO7/c1-2-11-3-5-12(6-4-11)7-13-8-14(21-22(16(13)23)29-10-28-21)20-19(27)18(26)17(25)15(9-24)30-20/h3-6,8,15,17-20,24-27H,2,7,9-10H2,1H3/t15-,17-,18+,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	37
GREEN CROSS CORPORATION US Patent					Assay Description For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...				US Patent US9340521 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60CH
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM538120 (US11253516, Example 22) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCC(CC1)N1CCN(CCO)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM538138 (US11253516, Example 40) Show SMILES CNC1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NNV
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM159520 (US9034921, E162 | US9340521, E026) Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3OCOc3c2Cl)cc1 |r| Show InChI InChI=1S/C22H25ClO7/c1-2-11-3-5-12(6-4-11)7-13-8-14(21-22(16(13)23)29-10-28-21)20-19(27)18(26)17(25)15(9-24)30-20/h3-6,8,15,17-20,24-27H,2,7,9-10H2,1H3/t15-,17-,18+,19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.404	n/a	n/a	n/a	n/a	7.4	37
GREEN CROSS CORPORATION US Patent					Assay Description For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RP...				US Patent US9034921 (2015) BindingDB Entry DOI: 10.7270/Q2QF8RMT
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2752 total )  |  Next  |  Last  >>

Jump to: