Compile Data Set for Download or QSAR

Found 590 hits with Last Name = 'doi' and Initial = 's'   

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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human JAK2 (880 to end residues) expressed in baculovirus infected Sf21 cells using TK-substrate-biotin as substra...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257167 (CHEMBL2325619) Show SMILES Cc1[nH]ncc1-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)C(F)(F)F Show InChI InChI=1S/C20H13F3N6O3S2/c1-11-16(9-26-28-11)15-7-13(20(21,22)23)2-4-18(15)32-17-5-3-14(6-12(17)8-24)34(30,31)29-19-25-10-27-33-19/h2-7,9-10H,1H3,(H,26,28)(H,25,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50545650 (Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...) Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human JAK2 (880 to end residues) expressed in baculovirus infected Sf21 cells using TK-substrate-biotin as substra...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50545650 (Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...) Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substrat...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substrat...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257179 (CHEMBL2325622) Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C21H17ClF2N6O3S2/c1-29-9-13(10-29)30-17(4-5-26-30)14-6-12(22)2-3-18(14)33-19-7-16(24)20(8-15(19)23)35(31,32)28-21-25-11-27-34-21/h2-8,11,13H,9-10H2,1H3,(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257166 (CHEMBL2325330) Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cn[nH]c1 Show InChI InChI=1S/C18H11ClN6O3S2/c19-13-1-3-17(15(6-13)12-8-22-23-9-12)28-16-4-2-14(5-11(16)7-20)30(26,27)25-18-21-10-24-29-18/h1-6,8-10H,(H,22,23)(H,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587492 (CHEMBL5079107) Show SMILES CC(C)C(NC(=O)CCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587502 (CHEMBL5079949) Show SMILES Cc1nc(N2C[C@](Cc3ccccc3)(C[C@H]2CO)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257216 (CHEMBL2325350) Show SMILES Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C18H12ClF2N5O3S2/c1-26-14(4-5-23-26)11-6-10(19)2-3-15(11)29-16-7-13(21)17(8-12(16)20)31(27,28)25-18-22-9-24-30-18/h2-9H,1H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587504 (CHEMBL5087040) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587505 (CHEMBL5072731) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109867 (US8609647, 27 | US8609647, 37 | US8609647, 5) Show SMILES FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H16F2N6O/c17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14/h3,6,10H,1-2,4,7-9H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587493 (CHEMBL5087238) Show SMILES CC(C)C(CC(=O)NCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109867 (US8609647, 27 | US8609647, 37 | US8609647, 5) Show SMILES FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H16F2N6O/c17-16(18)9-24(12(25)2-5-19)15(16)4-1-7-23(8-15)14-11-3-6-20-13(11)21-10-22-14/h3,6,10H,1-2,4,7-9H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109863 (US8609647, 1 | US8609647, 15 | US8609647, 2 | US86...) Show SMILES CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C17H20N6O/c1-12-9-23(14(24)3-6-18)17(12)5-2-8-22(10-17)16-13-4-7-19-15(13)20-11-21-16/h4,7,11-12H,2-3,5,8-10H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257180 (CHEMBL2325317) Show SMILES CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C22H18ClF2N5O3S2/c1-29-9-14(10-29)30-18(4-5-27-30)15-6-13(23)2-3-19(15)33-20-7-17(25)21(8-16(20)24)35(31,32)28-22-11-34-12-26-22/h2-8,11-12,14,28H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109863 (US8609647, 1 | US8609647, 15 | US8609647, 2 | US86...) Show SMILES CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C17H20N6O/c1-12-9-23(14(24)3-6-18)17(12)5-2-8-22(10-17)16-13-4-7-19-15(13)20-11-21-16/h4,7,11-12H,2-3,5,8-10H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257178 (CHEMBL2325627) Show SMILES Nc1n[nH]cc1-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1)C(F)(F)F Show InChI InChI=1S/C18H11ClF4N6O3S2/c19-11-4-15(34(30,31)29-17-28-26-7-33-17)12(20)5-14(11)32-13-2-1-8(18(21,22)23)3-9(13)10-6-25-27-16(10)24/h1-7H,(H,28,29)(H3,24,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257214 (CHEMBL2325601) Show SMILES Nc1n[nH]cc1-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C(F)(F)F Show InChI InChI=1S/C19H12ClF4N5O3S2/c20-12-4-16(34(30,31)29-17-7-33-8-26-17)13(21)5-15(12)32-14-2-1-9(19(22,23)24)3-10(14)11-6-27-28-18(11)25/h1-8,29H,(H3,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257168 (CHEMBL2325013) Show SMILES Nc1cc(ccn1)-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C20H13ClN6O3S2/c21-14-1-3-18(16(9-14)12-5-6-24-19(23)8-12)30-17-4-2-15(7-13(17)10-22)32(28,29)27-20-25-11-26-31-20/h1-9,11H,(H2,23,24)(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50370763 (CHEMBL1203926) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCN4CCCCC4)CCn3c2c1 Show InChI InChI=1S/C30H37N3O2/c34-30(35)23-13-14-24-27(21-23)33-20-19-32(18-17-31-15-7-2-8-16-31)26-12-6-5-11-25(26)29(33)28(24)22-9-3-1-4-10-22/h5-6,11-14,21-22H,1-4,7-10,15-20H2,(H,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV NS5B RNA polymerase				J Med Chem 49: 6950-3 (2006) Article DOI: 10.1021/jm0610245 BindingDB Entry DOI: 10.7270/Q2XD12GM
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50503530 (CHEMBL4437645) Show SMILES CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2cc(OCCO)ccn2)cc1 Show InChI InChI=1S/C27H30N2O5/c1-3-19-4-6-20(7-5-19)18-34-25-9-8-21(14-26(25)32-2)22-16-29(17-22)27(31)24-15-23(10-11-28-24)33-13-12-30/h4-11,14-15,22,30H,3,12-13,16-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 115-118 (2019) Article DOI: 10.1016/j.bmcl.2018.10.051 BindingDB Entry DOI: 10.7270/Q2RN3C4G
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587503 (CHEMBL5089800) Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(C)nc2[nH]c3c(cccc3c12)C1CC1)c1ccc([nH]1)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109907 (US8609647, 52) Show SMILES O=C(NCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C17H21N7O/c18-6-8-20-16(25)24-10-2-5-17(24)4-1-9-23(11-17)15-13-3-7-19-14(13)21-12-22-15/h3,7,12H,1-2,4-5,8-11H2,(H,20,25)(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257181 (CHEMBL2325020) Show SMILES CCN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C23H20ClF2N5O3S2/c1-2-30-10-15(11-30)31-19(5-6-28-31)16-7-14(24)3-4-20(16)34-21-8-18(26)22(9-17(21)25)36(32,33)29-23-12-35-13-27-23/h3-9,12-13,15,29H,2,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109866 (US8609647, 26 | US8609647, 4) Show SMILES FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H14F2N6O/c16-15(17)8-23(11(24)1-4-18)14(15)3-6-22(7-14)13-10-2-5-19-12(10)20-9-21-13/h2,5,9H,1,3,6-8H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257211 (CHEMBL2325038) Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C18H12ClN7O3S2/c19-11-1-3-16(13(6-11)14-8-23-25-17(14)21)29-15-4-2-12(5-10(15)7-20)31(27,28)26-18-22-9-24-30-18/h1-6,8-9H,(H3,21,23,25)(H,22,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240267 (CHEMBL2325014) Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109866 (US8609647, 26 | US8609647, 4) Show SMILES FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H14F2N6O/c16-15(17)8-23(11(24)1-4-18)14(15)3-6-22(7-14)13-10-2-5-19-12(10)20-9-21-13/h2,5,9H,1,3,6-8H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Homo sapiens (Human))	BDBM50587504 (CHEMBL5087040) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257212 (CHEMBL2325021) Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnnc1 Show InChI InChI=1S/C20H11F3N6O3S2/c21-20(22,23)14-1-3-18(16(8-14)12-5-6-26-27-10-12)32-17-4-2-15(7-13(17)9-24)34(30,31)29-19-25-11-28-33-19/h1-8,10-11H,(H,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50545650 (Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...) Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587501 (CHEMBL5092915) Show SMILES Cc1nc(N2C[C@](CO)(Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50199051 (3-benzyloxy-12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza...) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccc(OCc5ccccc5)cc4OCCn3c2c1 Show InChI InChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV NS5B RNA polymerase				J Med Chem 49: 6950-3 (2006) Article DOI: 10.1021/jm0610245 BindingDB Entry DOI: 10.7270/Q2XD12GM
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587494 (CHEMBL5090085) Show SMILES CC(C)[C@H](CC(=O)N[C@H](C)c1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50545650 (Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...) Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1/Tyk2 in human PBMC assessed as reduction in INFalpha-induced Stat1 phosphorylation in CD3+CD4+ cells preincubated for 30 mins foll...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50545632 (CHEMBL4646256) Show SMILES CC1CCCN1c1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F Show InChI InChI=1S/C17H18F3N5O/c1-10-3-2-8-25(10)15-13(17(18,19)20)9-22-16(24-15)23-12-6-4-11(5-7-12)14(21)26/h4-7,9-10H,2-3,8H2,1H3,(H2,21,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50370761 (CHEMBL1204385) Show SMILES CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12 Show InChI InChI=1S/C27H33N3O2/c1-28(2)14-15-29-16-17-30-24-18-20(27(31)32)12-13-21(24)25(19-8-4-3-5-9-19)26(30)22-10-6-7-11-23(22)29/h6-7,10-13,18-19H,3-5,8-9,14-17H2,1-2H3,(H,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV NS5B RNA polymerase				J Med Chem 49: 6950-3 (2006) Article DOI: 10.1021/jm0610245 BindingDB Entry DOI: 10.7270/Q2XD12GM
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Homo sapiens (Human))	BDBM50587505 (CHEMBL5072731) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50199043 (13-cyclohexyl-5-methyl-6,7-dihydro-5H-benzo[5,6][1...) Show SMILES CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12 Show InChI InChI=1S/C24H26N2O2/c1-25-13-14-26-21-15-17(24(27)28)11-12-18(21)22(16-7-3-2-4-8-16)23(26)19-9-5-6-10-20(19)25/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,27,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV NS5B RNA polymerase				J Med Chem 49: 6950-3 (2006) Article DOI: 10.1021/jm0610245 BindingDB Entry DOI: 10.7270/Q2XD12GM
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257183 (CHEMBL2324755) Show SMILES Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c1-26-14(4-5-23-26)11-6-10(19)2-3-15(11)29-16-8-13(21)17(7-12(16)20)31(27,28)25-18-24-22-9-30-18/h2-9H,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109868 (US8609647, 19 | US8609647, 21 | US8609647, 6) Show SMILES CC1CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020) Article DOI: 10.1021/acs.jmedchem.0c00450 BindingDB Entry DOI: 10.7270/Q2FX7F2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257182 (CHEMBL2324753) Show SMILES Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C19H13ClN6O3S2/c1-26-16(6-7-23-26)15-9-13(20)2-4-18(15)29-17-5-3-14(8-12(17)10-21)31(27,28)25-19-22-11-24-30-19/h2-9,11H,1H3,(H,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50257175 (CHEMBL2324776) Show SMILES Fc1cc(Oc2ccc(cc2-c2ccnnc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1nncs1 Show InChI InChI=1S/C19H10ClF4N5O3S2/c20-13-6-17(34(30,31)29-18-28-27-9-33-18)14(21)7-16(13)32-15-2-1-11(19(22,23)24)5-12(15)10-3-4-25-26-8-10/h1-9H,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Icagen Inc. , 4222 Emperor Blvd no. 350, Durham, North Carolina 27703, United States. Curated by ChEMBL					Assay Description Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp metho...				J Med Chem 60: 7029-7042 (2017) Article DOI: 10.1021/acs.jmedchem.7b00598 BindingDB Entry DOI: 10.7270/Q21G0PQF
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50370762 (CHEMBL1203925) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4NCCn3c2c1 Show InChI InChI=1S/C23H24N2O2/c26-23(27)16-10-11-18-20(14-16)25-13-12-24-19-9-5-4-8-17(19)22(25)21(18)15-6-2-1-3-7-15/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2,(H,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV NS5B RNA polymerase				J Med Chem 49: 6950-3 (2006) Article DOI: 10.1021/jm0610245 BindingDB Entry DOI: 10.7270/Q2XD12GM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50199042 (13-cyclohexyl-5-(dimethylcarbamoylmethyl)-6,7-dihy...) Show SMILES CN(C)C(=O)CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12 Show InChI InChI=1S/C27H31N3O3/c1-28(2)24(31)17-29-14-15-30-23-16-19(27(32)33)12-13-20(23)25(18-8-4-3-5-9-18)26(30)21-10-6-7-11-22(21)29/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of HCV NS5B RNA polymerase				J Med Chem 49: 6950-3 (2006) Article DOI: 10.1021/jm0610245 BindingDB Entry DOI: 10.7270/Q2XD12GM
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Homo sapiens (Human))	BDBM50587492 (CHEMBL5079107) Show SMILES CC(C)C(NC(=O)CCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50503517 (CHEMBL4522333) Show SMILES CCc1ccc(COc2ccc(cc2OC)C2CN(C2)C(=O)c2ccc(OCCO)cn2)cc1 Show InChI InChI=1S/C27H30N2O5/c1-3-19-4-6-20(7-5-19)18-34-25-11-8-21(14-26(25)32-2)22-16-29(17-22)27(31)24-10-9-23(15-28-24)33-13-12-30/h4-11,14-15,22,30H,3,12-13,16-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins...				Bioorg Med Chem Lett 29: 115-118 (2019) Article DOI: 10.1016/j.bmcl.2018.10.051 BindingDB Entry DOI: 10.7270/Q2RN3C4G
					More data for this Ligand-Target Pair

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