Compile Data Set for Download or QSAR

Found 4849 hits with Last Name = 'pai' and Initial = 'g'   

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
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170092 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170082 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:15| Show InChI InChI=1S/C14H23N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,14,16,20H,2,4-7,15H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170089 (1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-...) Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170086 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:17| Show InChI InChI=1S/C16H27N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,16,18,22H,2-4,6-9,17H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170095 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:16| Show InChI InChI=1S/C15H25N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h4,9,11-12,15,17,21H,2-3,5-8,16H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170091 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccncc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C17H22N6OS/c18-17-16-15(21-10-22-17)11(5-20-16)6-23-7-12(14(24)8-23)9-25-13-1-3-19-4-2-13/h1-5,10,12,14,17,20,24H,6-9,18H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170098 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(F)cc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22FN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170083 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccccc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H23N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h1-6,11,13,15,18,20,24H,7-10,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170097 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CC(C)SCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:16| Show InChI InChI=1S/C15H25N5OS/c1-9(2)22-7-11-5-20(6-12(11)21)4-10-3-17-14-13(10)18-8-19-15(14)16/h3,8-9,11-12,15,17,21H,4-7,16H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170088 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4cccc(Cl)c4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22ClN5OS/c19-13-2-1-3-14(4-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170086 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:17| Show InChI InChI=1S/C16H27N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,16,18,22H,2-4,6-9,17H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170092 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170094 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSC4CCCCC4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H29N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h6,11,13-15,18,20,24H,1-5,7-10,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170082 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:15| Show InChI InChI=1S/C14H23N5OS/c1-2-21-7-10-5-19(6-11(10)20)4-9-3-16-13-12(9)17-8-18-14(13)15/h3,8,10-11,14,16,20H,2,4-7,15H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM36497 (CHEMBL191436 | DADMe-ImmA-Bn) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12 Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170094 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSC4CCCCC4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H29N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h6,11,13-15,18,20,24H,1-5,7-10,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170098 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccc(F)cc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22FN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170097 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CC(C)SCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:16| Show InChI InChI=1S/C15H25N5OS/c1-9(2)22-7-11-5-20(6-12(11)21)4-10-3-17-14-13(10)18-8-19-15(14)16/h3,8-9,11-12,15,17,21H,4-7,16H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170093 (2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...) Show SMILES CSCC1[NH2+]C(C(O)C1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50349858 (CHEMBL78755) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170095 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCCSCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:16| Show InChI InChI=1S/C15H25N5OS/c1-2-3-22-8-11-6-20(7-12(11)21)5-10-4-17-14-13(10)18-9-19-15(14)16/h4,9,11-12,15,17,21H,2-3,5-8,16H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM36497 (CHEMBL191436 | DADMe-ImmA-Bn) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12 Show InChI InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50349858 (CHEMBL78755) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170083 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccccc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H23N5OS/c19-18-17-16(21-11-22-18)12(6-20-17)7-23-8-13(15(24)9-23)10-25-14-4-2-1-3-5-14/h1-6,11,13,15,18,20,24H,7-10,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170089 (1-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-ylmethyl)-...) Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)CC1O Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170091 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4ccncc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C17H22N6OS/c18-17-16-15(21-10-22-17)11(5-20-16)6-23-7-12(14(24)8-23)9-25-13-1-3-19-4-2-13/h1-5,10,12,14,17,20,24H,6-9,18H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170088 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(CSc4cccc(Cl)c4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C18H22ClN5OS/c19-13-2-1-3-14(4-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,18,21,25H,6-9,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170084 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:14| Show InChI InChI=1S/C14H23N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(10)17-8-18-14(13)15/h4,8-9,11,14,16,20H,2-3,5-7,15H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50349858 (CHEMBL78755) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170087 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES COCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:14| Show InChI InChI=1S/C13H21N5O2/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,13,15,19H,3-6,14H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50349858 (CHEMBL78755) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170087 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES COCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:14| Show InChI InChI=1S/C13H21N5O2/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,13,15,19H,3-6,14H2,1H3,(H,16,17)	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
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170084 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES CCCC1CN(Cc2c[nH]c3C(N)NC=Nc23)CC1O |c:14| Show InChI InChI=1S/C14H23N5O/c1-2-3-9-5-19(7-11(9)20)6-10-4-16-13-12(10)17-8-18-14(13)15/h4,8-9,11,14,16,20H,2-3,5-7,15H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170093 (2-(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-di...) Show SMILES CSCC1[NH2+]C(C(O)C1O)c1c[nH]c2c(N)ncnc12 Show InChI InChI=1S/C12H17N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-11,14,17-19H,3H2,1H3,(H2,13,15,16)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50080733 (4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50349850 (CHEMBL1738787) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428408 (CHEMBL2333970) Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170096 (1-(4-Amino-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-...) Show SMILES NC1NC=Nc2c(CN3CC(O)C(COCc4ccccc4)C3)c[nH]c12 |c:3| Show InChI InChI=1S/C19H25N5O2/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,19,21,25H,7-11,20H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as equilibrium dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428412 (4-(2-Fluoropropylamino)Benzenesulfonamide | CHEMBL...) Show SMILES CC(F)CNc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50080733 (4-(4-aminophenylsulfonamido)-1-benzenesulfonamide ...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428405 (CHEMBL2333973) Show SMILES CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428398 (CHEMBL2333965) Show SMILES NS(=O)(=O)c1ccc2NCCCc2c1 Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50170090 (1-(7-Amino-1H-pyrazolo[4,3-d]pyrimidin-3-ylmethyl)...) Show SMILES Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)[nH]nc12 Show InChI InChI=1S/C18H22N6OS/c19-18-17-16(20-11-21-18)14(22-23-17)7-24-6-13(15(25)8-24)10-26-9-12-4-2-1-3-5-12/h1-5,11,13,15,25H,6-10H2,(H,22,23)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human MTAP as initial dissociation constant				J Med Chem 48: 4679-89 (2005) Article DOI: 10.1021/jm050269z BindingDB Entry DOI: 10.7270/Q2FJ2HKR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428412 (4-(2-Fluoropropylamino)Benzenesulfonamide | CHEMBL...) Show SMILES CC(F)CNc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428401 (CHEMBL2333977) Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CC(Cl)=C)CC(Cl)=C Show InChI InChI=1S/C12H14Cl2N2O2S/c1-9(13)7-16(8-10(2)14)19(17,18)12-5-3-11(15)4-6-12/h3-6H,1-2,7-8,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428412 (4-(2-Fluoropropylamino)Benzenesulfonamide | CHEMBL...) Show SMILES CC(F)CNc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H13FN2O2S/c1-7(10)6-12-8-2-4-9(5-3-8)15(11,13)14/h2-5,7,12H,6H2,1H3,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428408 (CHEMBL2333970) Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1555-63 (2013) Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 4849 total )  |  Next  |  Last  >>

Jump to: