Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'alex' and Initial = 'a'   

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
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))	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))	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))	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)
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)
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)
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)
High affinity choline transporter 1 (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]hemicholinium-3 from recombinant human choline transporter after 60 mins by scintillation counting method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					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)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Dofetilide from recombinant human ERG after 60 mins by scintillation counting method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]BTCP from recombinant human dopamine transporter after 120 mins by scintillation counting method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from recombinant human norepinephrine transporter after 120 min by scintillation counting method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Mus musculus)	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451457 (CHEMBL4210135) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCN(CC2)C(=O)CCc2ccc(cc2)C(=O)c2ccc(OCCC#C)cc2)c1 Show InChI InChI=1S/C55H48F3N7O6S2/c1-2-3-29-70-47-15-12-40(13-16-47)53(67)39-10-7-37(8-11-39)9-20-52(66)65-27-23-38(24-28-65)21-25-60-35-46-31-43(22-26-61-46)49-33-42(41-5-4-6-45(30-41)55(56,57)58)14-18-51(49)71-50-19-17-48(32-44(50)34-59)73(68,69)64-54-62-36-63-72-54/h1,4-8,10-19,22,26,30-33,36,38,60H,3,9,20-21,23-25,27-29,35H2,(H,62,63,64)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451458 (CHEMBL4205773) Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H19F3N6O3S2/c29-28(30,31)21-3-1-2-17(10-21)18-4-6-26(24(13-18)19-8-9-34-22(11-19)15-33)40-25-7-5-23(12-20(25)14-32)42(38,39)37-27-35-16-36-41-27/h1-13,16H,15,33H2,(H,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451456 (CHEMBL4215058) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCCCC(=O)NCCOCCOCCC(=O)N3CCC(CCNCc4cc(ccn4)-c4cc(ccc4Oc4ccc(cc4C#N)S(=O)(=O)Nc4ncns4)-c4cccc(c4)C(F)(F)F)CC3)=[N+]1[B-]2(F)F |c:10,85,t:8| Show InChI InChI=1S/C58H62BF5N10O7S2/c1-39-30-40(2)73-52(39)35-49-12-11-48(74(49)59(73,63)64)8-3-4-9-55(75)68-23-27-80-29-28-79-26-20-56(76)72-24-18-41(19-25-72)16-21-66-37-47-32-44(17-22-67-47)51-34-43(42-6-5-7-46(31-42)58(60,61)62)10-14-54(51)81-53-15-13-50(33-45(53)36-65)83(77,78)71-57-69-38-70-82-57/h5-7,10-15,17,22,30-35,38,41,66H,3-4,8-9,16,18-21,23-29,37H2,1-2H3,(H,68,75)(H,69,70,71)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451458 (CHEMBL4205773) Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H19F3N6O3S2/c29-28(30,31)21-3-1-2-17(10-21)18-4-6-26(24(13-18)19-8-9-34-22(11-19)15-33)40-25-7-5-23(12-20(25)14-32)42(38,39)37-27-35-16-36-41-27/h1-13,16H,15,33H2,(H,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451454 (CHEMBL4207534) Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C29H29ClN6O3S2/c30-24-4-6-28(39-27-7-5-25(15-23(27)17-31)41(37,38)36-29-34-19-35-40-29)26(16-24)22-3-1-2-21(14-22)18-33-13-10-20-8-11-32-12-9-20/h1-7,14-16,19-20,32-33H,8-13,18H2,(H,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
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	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis				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))	BDBM50440183 (CHEMBL2426563) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(F)c(OCCO)c1 Show InChI InChI=1S/C19H22FN5O2S2/c1-2-3-15-13(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-4-5-12(20)14(8-11)27-7-6-26/h4-5,8-9,26H,2-3,6-7,10H2,1H3,(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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
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	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis				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))	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	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis				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))	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	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis				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	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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)
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451459 (CHEMBL4208664) Show SMILES NCc1cc(ccn1)-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18ClF4N5O3S2/c28-21-11-25(42(38,39)37-26-36-35-14-41-26)22(29)12-24(21)40-23-5-4-16(15-2-1-3-18(8-15)27(30,31)32)10-20(23)17-6-7-34-19(9-17)13-33/h1-12,14H,13,33H2,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440177 (CHEMBL2426569) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCCO)c1 Show InChI InChI=1S/C21H27N5O3S2/c1-3-5-17-14(12-30-21-25-18(22)11-19(23)26-21)24-20(31-17)13-6-7-15(28-2)16(10-13)29-9-4-8-27/h6-7,10-11,27H,3-5,8-9,12H2,1-2H3,(H4,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50451453 (CHEMBL2325603) Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccc(CN2CCC2)c1 Show InChI InChI=1S/C25H20ClN5O3S2/c26-20-5-7-24(22(13-20)18-4-1-3-17(11-18)15-31-9-2-10-31)34-23-8-6-21(12-19(23)14-27)36(32,33)30-25-28-16-29-35-25/h1,3-8,11-13,16H,2,9-10,15H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440184 (CHEMBL2426562) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(OCCO)c1 Show InChI InChI=1S/C19H23N5O2S2/c1-2-4-15-14(11-27-19-23-16(20)10-17(21)24-19)22-18(28-15)12-5-3-6-13(9-12)26-8-7-25/h3,5-6,9-10,25H,2,4,7-8,11H2,1H3,(H4,20,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM50451447 (CHEMBL4217988) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1 Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.2 expressed in HEK cells by patch clamp electrophysiology method				Bioorg Med Chem Lett 27: 4805-4811 (2017) Article DOI: 10.1016/j.bmcl.2017.09.056 BindingDB Entry DOI: 10.7270/Q25Q4ZN1
					More data for this Ligand-Target Pair
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	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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))	BDBM50440182 (CHEMBL2426564) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(OCCO)c1 Show InChI InChI=1S/C19H22FN5O2S2/c1-2-3-15-14(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-6-12(20)8-13(7-11)27-5-4-26/h6-9,26H,2-5,10H2,1H3,(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440175 (CHEMBL2426571) Show SMILES CCCc1sc(nc1CSc1nccc(N)n1)-c1ccc(OC)c(OCCO)c1 Show InChI InChI=1S/C20H24N4O3S2/c1-3-4-17-14(12-28-20-22-8-7-18(21)24-20)23-19(29-17)13-5-6-15(26-2)16(11-13)27-10-9-25/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440174 (CHEMBL2426572) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)O)c1 Show InChI InChI=1S/C21H27N5O3S2/c1-4-5-17-14(11-30-21-25-18(22)9-19(23)26-21)24-20(31-17)13-6-7-15(28-3)16(8-13)29-10-12(2)27/h6-9,12,27H,4-5,10-11H2,1-3H3,(H4,22,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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
Deoxycytidine kinase (Mus musculus)	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 GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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))	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	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
California NanoSystems Institute Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake				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))	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	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis				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)
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...				Bioorg Med Chem Lett 25: 5281-5 (2015) Article DOI: 10.1016/j.bmcl.2015.09.048 BindingDB Entry DOI: 10.7270/Q2M90BH5
					More data for this Ligand-Target Pair				3D Structure (crystal)

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