Compile Data Set for Download or QSAR

Found 2772 hits with Last Name = 'levin' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136934 (3',4'-Dichloro-biphenyl-3-sulfonic acid (3-chloro-...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H21Cl3N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)26)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(24)20(25)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136916 (3'-Chloro-4'-fluoro-biphenyl-3-sulfonic acid (3-ch...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(Cl)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H21Cl2FN4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)25)30-33(31,32)17-5-3-4-14(8-17)15-6-7-20(26)19(24)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136914 (4'-Chloro-3'-methyl-biphenyl-3-sulfonic acid (3-ch...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(C)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H24Cl2N4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)26)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(25)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136919 (3',4'-Difluoro-biphenyl-3-sulfonic acid (3-chloro-...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(F)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H21ClF2N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)24)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(25)20(26)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136913 (CHEMBL156794 | N-(3-Chloro-7-isobutylamino-1H-inda...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cnc3ccccc3c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C26H24ClN5O2S/c1-16(2)14-28-24-13-20(12-22-25(24)30-31-26(22)27)32-35(33,34)21-8-5-7-17(11-21)19-10-18-6-3-4-9-23(18)29-15-19/h3-13,15-16,28,32H,14H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136936 (3'-Trifluoromethyl-biphenyl-3-sulfonic acid (3-chl...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H22ClF3N4O2S/c1-14(2)13-29-21-12-18(11-20-22(21)30-31-23(20)25)32-35(33,34)19-8-4-6-16(10-19)15-5-3-7-17(9-15)24(26,27)28/h3-12,14,29,32H,13H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136942 (4'-Chloro-biphenyl-3-sulfonic acid (3-chloro-7-iso...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H22Cl2N4O2S/c1-14(2)13-26-21-12-18(11-20-22(21)27-28-23(20)25)29-32(30,31)19-5-3-4-16(10-19)15-6-8-17(24)9-7-15/h3-12,14,26,29H,13H2,1-2H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136911 (4'-Trifluoromethyl-biphenyl-3-sulfonic acid (3-chl...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H22ClF3N4O2S/c1-14(2)13-29-21-12-18(11-20-22(21)30-31-23(20)25)32-35(33,34)19-5-3-4-16(10-19)15-6-8-17(9-7-15)24(26,27)28/h3-12,14,29,32H,13H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136918 (4'-Fluoro-3'-methyl-biphenyl-3-sulfonic acid (3-ch...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(C)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H24ClFN4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)25)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(26)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136935 (3'-Methylsulfanyl-biphenyl-3-sulfonic acid (3-chlo...) Show SMILES CSc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(Cl)c2c1 Show InChI InChI=1S/C24H25ClN4O2S2/c1-15(2)14-26-22-13-18(12-21-23(22)27-28-24(21)25)29-33(30,31)20-9-5-7-17(11-20)16-6-4-8-19(10-16)32-3/h4-13,15,26,29H,14H2,1-3H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136910 (3'-Trifluoromethyl-biphenyl-3-sulfonic acid (7-iso...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(C)n[nH]c12 Show InChI InChI=1S/C25H25F3N4O2S/c1-15(2)14-29-23-13-20(12-22-16(3)30-31-24(22)23)32-35(33,34)21-9-5-7-18(11-21)17-6-4-8-19(10-17)25(26,27)28/h4-13,15,29,32H,14H2,1-3H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136943 (3'-(2-Hydroxy-ethyl)-biphenyl-3-sulfonic acid (3-c...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(CCO)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C25H27ClN4O3S/c1-16(2)15-27-23-14-20(13-22-24(23)28-29-25(22)26)30-34(32,33)21-8-4-7-19(12-21)18-6-3-5-17(11-18)9-10-31/h3-8,11-14,16,27,30-31H,9-10,15H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136922 (CHEMBL346924 | N-(3-Chloro-7-isobutylamino-1H-inda...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H24ClN5O2S/c1-14(2)13-26-21-12-18(11-20-22(21)27-28-23(20)24)29-32(30,31)19-6-4-5-16(10-19)17-7-8-25-15(3)9-17/h4-12,14,26,29H,13H2,1-3H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136907 (CHEMBL153876 | N-(3-Chloro-7-isobutylamino-1H-inda...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)n2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C22H23ClN6O2S/c1-13(2)12-25-20-11-16(10-18-21(20)27-28-22(18)23)29-32(30,31)17-6-4-5-15(9-17)19-7-8-24-14(3)26-19/h4-11,13,25,29H,12H2,1-3H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136940 (3'-Methyl-biphenyl-3-sulfonic acid (3-chloro-7-iso...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(C)c2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C24H25ClN4O2S/c1-15(2)14-26-22-13-19(12-21-23(22)27-28-24(21)25)29-32(30,31)20-9-5-8-18(11-20)17-7-4-6-16(3)10-17/h4-13,15,26,29H,14H2,1-3H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136930 (CHEMBL154614 | N-(3-Chloro-7-isobutylamino-1H-inda...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C22H22ClN5O2S/c1-14(2)13-25-20-12-17(11-19-21(20)26-27-22(19)23)28-31(29,30)18-5-3-4-16(10-18)15-6-8-24-9-7-15/h3-12,14,25,28H,13H2,1-2H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257823 (CHEMBL4089551) Show SMILES Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged IKKalpha (1 to 745 residues) expressed in baculovirus expression system using biotinylated IkBa...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136921 (Biphenyl-3-sulfonic acid (3-chloro-7-isobutylamino...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C23H23ClN4O2S/c1-15(2)14-25-21-13-18(12-20-22(21)26-27-23(20)24)28-31(29,30)19-10-6-9-17(11-19)16-7-4-3-5-8-16/h3-13,15,25,28H,14H2,1-2H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257884 (CHEMBL4065551) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H12N6O2S/c1-23(21,22)20-10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7,20H,1H3,(H3,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136938 (3'-Methyl-biphenyl-3-sulfonic acid (7-isobutylamin...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(C)c2)cc2c(C)n[nH]c12 Show InChI InChI=1S/C25H28N4O2S/c1-16(2)15-26-24-14-21(13-23-18(4)27-28-25(23)24)29-32(30,31)22-10-6-9-20(12-22)19-8-5-7-17(3)11-19/h5-14,16,26,29H,15H2,1-4H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136939 (3'-Ethyl-biphenyl-3-sulfonic acid (7-isobutylamino...) Show SMILES CCc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(C)c2c1 Show InChI InChI=1S/C26H30N4O2S/c1-5-19-8-6-9-20(12-19)21-10-7-11-23(13-21)33(31,32)30-22-14-24-18(4)28-29-26(24)25(15-22)27-16-17(2)3/h6-15,17,27,30H,5,16H2,1-4H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136908 (CHEMBL153820 | N-(7-Isobutylamino-3-methyl-1H-inda...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)n2)cc2c(C)n[nH]c12 Show InChI InChI=1S/C23H26N6O2S/c1-14(2)13-25-22-12-18(11-20-15(3)27-28-23(20)22)29-32(30,31)19-7-5-6-17(10-19)21-8-9-24-16(4)26-21/h5-12,14,25,29H,13H2,1-4H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136905 (CHEMBL157223 | N-(7-Isobutylamino-3-methyl-1H-inda...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc2c(C)n[nH]c12 Show InChI InChI=1S/C23H25N5O2S/c1-15(2)14-25-22-13-19(12-21-16(3)26-27-23(21)22)28-31(29,30)20-6-4-5-18(11-20)17-7-9-24-10-8-17/h4-13,15,25,28H,14H2,1-3H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257927 (CHEMBL4061406) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H11N5O2S/c1-22(20,21)10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7H,1H3,(H3,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257824 (CHEMBL4074174) Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H12N6O2S/c1-17-23(21,22)10-4-2-8(3-5-10)12-11-9(6-15)7-18-13(11)20-14(16)19-12/h2-5,7,17H,1H3,(H3,16,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136926 (Biphenyl-3-sulfonic acid (7-isobutylamino-3-methyl...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(C)n[nH]c12 Show InChI InChI=1S/C24H26N4O2S/c1-16(2)15-25-23-14-20(13-22-17(3)26-27-24(22)23)28-31(29,30)21-11-7-10-19(12-21)18-8-5-4-6-9-18/h4-14,16,25,28H,15H2,1-3H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	498	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136927 (4-Chloro-N-[3-chloro-7-(cyclopropylmethyl-amino)-1...) Show SMILES Clc1n[nH]c2c(NCC3CC3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 Show InChI InChI=1S/C17H16Cl2N4O2S/c18-11-3-5-13(6-4-11)26(24,25)23-12-7-14-16(21-22-17(14)19)15(8-12)20-9-10-1-2-10/h3-8,10,20,23H,1-2,9H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257859 (CHEMBL4096206) Show SMILES Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C12H11N5O2S/c13-12-16-10(9-5-6-15-11(9)17-12)7-1-3-8(4-2-7)20(14,18)19/h1-6H,(H2,14,18,19)(H3,13,15,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257822 (CHEMBL4088616) Show SMILES Nc1nc(-c2ccc(CO)cc2)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136923 (4-Chloro-N-(3-chloro-7-isobutylamino-1H-indazol-5-...) Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C17H18Cl2N4O2S/c1-10(2)9-20-15-8-12(7-14-16(15)21-22-17(14)19)23-26(24,25)13-5-3-11(18)4-6-13/h3-8,10,20,23H,9H2,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257925 (CHEMBL4086169) Show SMILES Nc1nc(N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c2c(c[nH]c2n1)C#N |r| Show InChI InChI=1S/C12H14N6O3/c13-2-4-3-15-10-7(4)11(18-12(14)17-10)16-5-1-6(19)9(21)8(5)20/h3,5-6,8-9,19-21H,1H2,(H4,14,15,16,17,18)/t5-,6+,8+,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257818 (CHEMBL4096327) Show SMILES Nc1nc(N[C@@H]2CC[C@@H](O)[C@H]2O)c2c(c[nH]c2n1)C#N |r| Show InChI InChI=1S/C12H14N6O2/c13-3-5-4-15-10-8(5)11(18-12(14)17-10)16-6-1-2-7(19)9(6)20/h4,6-7,9,19-20H,1-2H2,(H4,14,15,16,17,18)/t6-,7-,9+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136937 (5-Dimethylamino-naphthalene-1-sulfonic acid (1H-in...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2c[nH]nc2c1 Show InChI InChI=1S/C19H18N4O2S/c1-23(2)18-7-3-6-16-15(18)5-4-8-19(16)26(24,25)22-14-10-9-13-12-20-21-17(13)11-14/h3-12,22H,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257823 (CHEMBL4089551) Show SMILES Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136931 (4-Chloro-N-[3-chloro-7-(2,2-dimethyl-propylamino)-...) Show SMILES CC(C)(C)CNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 Show InChI InChI=1S/C18H20Cl2N4O2S/c1-18(2,3)10-21-15-9-12(8-14-16(15)22-23-17(14)20)24-27(25,26)13-6-4-11(19)5-7-13/h4-9,21,24H,10H2,1-3H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257884 (CHEMBL4065551) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H12N6O2S/c1-23(21,22)20-10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7,20H,1H3,(H3,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257825 (CHEMBL4100931) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(N)nc3[nH]cc(C#N)c23)cc1 Show InChI InChI=1S/C20H16N6O2S/c1-12-2-6-15(7-3-12)26-29(27,28)16-8-4-13(5-9-16)18-17-14(10-21)11-23-19(17)25-20(22)24-18/h2-9,11,26H,1H3,(H3,22,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257863 (CHEMBL4068933) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C12H10N4O2S/c13-19(17,18)9-3-1-8(2-4-9)11-10-5-6-14-12(10)16-7-15-11/h1-7H,(H2,13,17,18)(H,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257820 (CHEMBL4104970) Show SMILES Nc1nc(-c2ccc(O)cc2)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H9N5O/c14-5-8-6-16-12-10(8)11(17-13(15)18-12)7-1-3-9(19)4-2-7/h1-4,6,19H,(H3,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257903 (CHEMBL4064103) Show SMILES Nc1nc(NCCO)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C9H10N6O/c10-3-5-4-13-8-6(5)7(12-1-2-16)14-9(11)15-8/h4,16H,1-2H2,(H4,11,12,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257819 (CHEMBL4104076) Show SMILES Nc1nc(-c2ccccc2)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H9N5/c14-6-9-7-16-12-10(9)11(17-13(15)18-12)8-4-2-1-3-5-8/h1-5,7H,(H3,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257824 (CHEMBL4074174) Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H12N6O2S/c1-17-23(21,22)10-4-2-8(3-5-10)12-11-9(6-15)7-18-13(11)20-14(16)19-12/h2-5,7,17H,1H3,(H3,16,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136928 (CHEMBL153833 | N-(7-Benzylamino-3-chloro-1H-indazo...) Show SMILES Clc1n[nH]c2c(NCc3ccccc3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 Show InChI InChI=1S/C20H16Cl2N4O2S/c21-14-6-8-16(9-7-14)29(27,28)26-15-10-17-19(24-25-20(17)22)18(11-15)23-12-13-4-2-1-3-5-13/h1-11,23,26H,12H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257888 (CHEMBL4084097) Show SMILES Nc1nc(NC2CCCCC2)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H16N6/c14-6-8-7-16-11-10(8)12(19-13(15)18-11)17-9-4-2-1-3-5-9/h7,9H,1-5H2,(H4,15,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257816 (CHEMBL4059744) Show SMILES Nc1nc(N[C@H]2CC[C@H](O)CC2)c2c(c[nH]c2n1)C#N |r,wU:5.4,wD:8.8,(53.68,-39.68,;55.01,-38.91,;55.02,-37.37,;56.34,-36.6,;56.34,-35.07,;55.08,-34.16,;53.68,-34.81,;52.43,-33.9,;52.58,-32.36,;51.34,-31.46,;53.99,-31.73,;55.24,-32.63,;57.68,-37.37,;59.14,-36.88,;60.05,-38.12,;59.15,-39.37,;57.68,-38.91,;56.35,-39.68,;59.6,-35.42,;60.07,-33.96,)| Show InChI InChI=1S/C13H16N6O/c14-5-7-6-16-11-10(7)12(19-13(15)18-11)17-8-1-3-9(20)4-2-8/h6,8-9,20H,1-4H2,(H4,15,16,17,18,19)/t8-,9-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257885 (CHEMBL4066605) Show SMILES Nc1nc(-c2ccccc2F)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H8FN5/c14-9-4-2-1-3-8(9)11-10-7(5-15)6-17-12(10)19-13(16)18-11/h1-4,6H,(H3,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50257886 (CHEMBL4088484) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ncnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C13H9N5O2S/c14-5-9-6-16-13-11(9)12(17-7-18-13)8-1-3-10(4-2-8)21(15,19)20/h1-4,6-7H,(H2,15,19,20)(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr foll...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136906 (4-Chloro-N-[3-chloro-7-(3-methyl-but-2-enylamino)-...) Show SMILES CC(C)=CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 |(1.06,-.29,;2.39,.47,;2.39,2.01,;3.72,-.29,;5.05,.48,;6.39,-.29,;6.4,-1.83,;5.07,-2.6,;5.07,-4.15,;3.74,-4.92,;3.74,-6.46,;2.2,-6.46,;5.28,-6.46,;3.74,-8,;2.41,-8.77,;2.41,-10.31,;3.74,-11.08,;3.74,-12.62,;5.09,-10.31,;5.09,-8.77,;6.4,-4.91,;7.75,-4.14,;9.2,-4.6,;9.97,-5.93,;10.11,-3.37,;9.2,-2.11,;7.75,-2.6,)| Show InChI InChI=1S/C18H18Cl2N4O2S/c1-11(2)7-8-21-16-10-13(9-15-17(16)22-23-18(15)20)24-27(25,26)14-5-3-12(19)4-6-14/h3-7,9-10,21,24H,8H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50257822 (CHEMBL4088616) Show SMILES Nc1nc(-c2ccc(CO)cc2)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after...				J Med Chem 60: 7043-7066 (2017) Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM50136941 (4-Chloro-N-(3-chloro-7-phenethylamino-1H-indazol-5...) Show SMILES Clc1n[nH]c2c(NCCc3ccccc3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 Show InChI InChI=1S/C21H18Cl2N4O2S/c22-15-6-8-17(9-7-15)30(28,29)27-16-12-18-20(25-26-21(18)23)19(13-16)24-11-10-14-4-2-1-3-5-14/h1-9,12-13,24,27H,10-11H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quorex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)				J Med Chem 46: 5663-73 (2003) Article DOI: 10.1021/jm0302039 BindingDB Entry DOI: 10.7270/Q279443D
					More data for this Ligand-Target Pair

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