Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'williams' and Initial = 'kj'   

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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387125 (4-ureidophenyl sulfamate ring derivative 3j | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 Show InChI InChI=1S/C13H8F5N3O4S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25-26(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387129 (4-ureidophenyl sulfamate ring derivative 3n | CHEM...) Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)	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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387131 (4-ureidophenyl sulfamate ring derivative 3p | CHEM...) Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12				Bioorg Med Chem 21: 1470-6 (2013) Article DOI: 10.1016/j.bmc.2012.09.062 BindingDB Entry DOI: 10.7270/Q2W0978K
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387131 (4-ureidophenyl sulfamate ring derivative 3p | CHEM...) Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387117 (4-ureidophenyl sulfamate ring derivative 3g | CHEM...) Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(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 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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387128 (4-ureidophenyl sulfamate ring derivative 3m | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12N4O6S/c14-24(21,22)23-12-7-3-10(4-8-12)16-13(18)15-9-1-5-11(6-2-9)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387116 (4-ureidophenyl sulfamate ring derivative 3x | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387125 (4-ureidophenyl sulfamate ring derivative 3j | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 Show InChI InChI=1S/C13H8F5N3O4S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25-26(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387128 (4-ureidophenyl sulfamate ring derivative 3m | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12N4O6S/c14-24(21,22)23-12-7-3-10(4-8-12)16-13(18)15-9-1-5-11(6-2-9)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387131 (4-ureidophenyl sulfamate ring derivative 3p | CHEM...) Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387127 (4-ureidophenyl sulfamate ring derivative 3l | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O4S/c16-23(20,21)22-14-8-6-13(7-9-14)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387131 (4-ureidophenyl sulfamate ring derivative 3p | CHEM...) Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Bioorg Med Chem 21: 1470-6 (2013) Article DOI: 10.1016/j.bmc.2012.09.062 BindingDB Entry DOI: 10.7270/Q2W0978K
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387124 (4-ureidophenyl sulfamate ring derivative 3i | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C19H17N3O5S/c20-28(24,25)27-18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)	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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387129 (4-ureidophenyl sulfamate ring derivative 3n | CHEM...) Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50387115 (CHEMBL2047797) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50391384 (CHEMBL2148104) Show SMILES NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-14.52,-41.63,;-13.19,-40.87,;-12.09,-39.79,;-13.96,-39.53,;-11.86,-41.64,;-10.51,-40.88,;-10.51,-39.34,;-9.17,-38.57,;-7.84,-39.35,;-6.5,-38.59,;-5.18,-39.37,;-5.19,-40.9,;-3.85,-38.6,;-2.52,-39.38,;-2.52,-40.92,;-1.19,-41.69,;.13,-40.93,;.15,-39.39,;-1.18,-38.61,;1.49,-38.63,;1.51,-37.09,;2.25,-39.77,;1.46,-41.7,;1.45,-43.24,;.11,-44,;.1,-45.53,;1.43,-46.32,;1.41,-47.86,;2.77,-45.57,;2.78,-44.02,;4.12,-43.26,;4.13,-41.72,;5.47,-40.96,;5.48,-39.42,;6.81,-38.65,;4.14,-38.63,;2.82,-39.42,;2.8,-40.94,;-7.84,-40.89,;-9.17,-41.65,)| Show InChI InChI=1S/C27H19N3O8S2/c28-40(35,36)38-18-6-1-14(2-7-18)29-27(39)30-15-3-8-19(22(11-15)26(33)34)25-20-9-4-16(31)12-23(20)37-24-13-17(32)5-10-21(24)25/h1-13,31H,(H,33,34)(H2,28,35,36)(H2,29,30,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387116 (4-ureidophenyl sulfamate ring derivative 3x | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387115 (CHEMBL2047797) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50391385 (CHEMBL2148105) Show SMILES NS(=O)(=O)Oc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H23N2O3S/c30-35(32,33)34-27-18-16-26(17-19-27)31-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(31)24-14-8-3-9-15-24/h1-21H,(H2,30,32,33)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387117 (4-ureidophenyl sulfamate ring derivative 3g | CHEM...) Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(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 PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387127 (4-ureidophenyl sulfamate ring derivative 3l | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O4S/c16-23(20,21)22-14-8-6-13(7-9-14)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50391384 (CHEMBL2148104) Show SMILES NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-14.52,-41.63,;-13.19,-40.87,;-12.09,-39.79,;-13.96,-39.53,;-11.86,-41.64,;-10.51,-40.88,;-10.51,-39.34,;-9.17,-38.57,;-7.84,-39.35,;-6.5,-38.59,;-5.18,-39.37,;-5.19,-40.9,;-3.85,-38.6,;-2.52,-39.38,;-2.52,-40.92,;-1.19,-41.69,;.13,-40.93,;.15,-39.39,;-1.18,-38.61,;1.49,-38.63,;1.51,-37.09,;2.25,-39.77,;1.46,-41.7,;1.45,-43.24,;.11,-44,;.1,-45.53,;1.43,-46.32,;1.41,-47.86,;2.77,-45.57,;2.78,-44.02,;4.12,-43.26,;4.13,-41.72,;5.47,-40.96,;5.48,-39.42,;6.81,-38.65,;4.14,-38.63,;2.82,-39.42,;2.8,-40.94,;-7.84,-40.89,;-9.17,-41.65,)| Show InChI InChI=1S/C27H19N3O8S2/c28-40(35,36)38-18-6-1-14(2-7-18)29-27(39)30-15-3-8-19(22(11-15)26(33)34)25-20-9-4-16(31)12-23(20)37-24-13-17(32)5-10-21(24)25/h1-13,31H,(H,33,34)(H2,28,35,36)(H2,29,30,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50387124 (4-ureidophenyl sulfamate ring derivative 3i | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C19H17N3O5S/c20-28(24,25)27-18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50391385 (CHEMBL2148105) Show SMILES NS(=O)(=O)Oc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H23N2O3S/c30-35(32,33)34-27-18-16-26(17-19-27)31-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(31)24-14-8-3-9-15-24/h1-21H,(H2,30,32,33)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387125 (4-ureidophenyl sulfamate ring derivative 3j | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 Show InChI InChI=1S/C13H8F5N3O4S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25-26(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387127 (4-ureidophenyl sulfamate ring derivative 3l | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O4S/c16-23(20,21)22-14-8-6-13(7-9-14)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387115 (CHEMBL2047797) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387116 (4-ureidophenyl sulfamate ring derivative 3x | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387124 (4-ureidophenyl sulfamate ring derivative 3i | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C19H17N3O5S/c20-28(24,25)27-18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	319	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387129 (4-ureidophenyl sulfamate ring derivative 3n | CHEM...) Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387117 (4-ureidophenyl sulfamate ring derivative 3g | CHEM...) Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(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 PC cid PC sid UniChem Similars	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387128 (4-ureidophenyl sulfamate ring derivative 3m | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12N4O6S/c14-24(21,22)23-12-7-3-10(4-8-12)16-13(18)15-9-1-5-11(6-2-9)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50387131 (4-ureidophenyl sulfamate ring derivative 3p | CHEM...) Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	546	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50391384 (CHEMBL2148104) Show SMILES NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-14.52,-41.63,;-13.19,-40.87,;-12.09,-39.79,;-13.96,-39.53,;-11.86,-41.64,;-10.51,-40.88,;-10.51,-39.34,;-9.17,-38.57,;-7.84,-39.35,;-6.5,-38.59,;-5.18,-39.37,;-5.19,-40.9,;-3.85,-38.6,;-2.52,-39.38,;-2.52,-40.92,;-1.19,-41.69,;.13,-40.93,;.15,-39.39,;-1.18,-38.61,;1.49,-38.63,;1.51,-37.09,;2.25,-39.77,;1.46,-41.7,;1.45,-43.24,;.11,-44,;.1,-45.53,;1.43,-46.32,;1.41,-47.86,;2.77,-45.57,;2.78,-44.02,;4.12,-43.26,;4.13,-41.72,;5.47,-40.96,;5.48,-39.42,;6.81,-38.65,;4.14,-38.63,;2.82,-39.42,;2.8,-40.94,;-7.84,-40.89,;-9.17,-41.65,)| Show InChI InChI=1S/C27H19N3O8S2/c28-40(35,36)38-18-6-1-14(2-7-18)29-27(39)30-15-3-8-19(22(11-15)26(33)34)25-20-9-4-16(31)12-23(20)37-24-13-17(32)5-10-21(24)25/h1-13,31H,(H,33,34)(H2,28,35,36)(H2,29,30,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	569	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50391385 (CHEMBL2148105) Show SMILES NS(=O)(=O)Oc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H23N2O3S/c30-35(32,33)34-27-18-16-26(17-19-27)31-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(31)24-14-8-3-9-15-24/h1-21H,(H2,30,32,33)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387128 (4-ureidophenyl sulfamate ring derivative 3m | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12N4O6S/c14-24(21,22)23-12-7-3-10(4-8-12)16-13(18)15-9-1-5-11(6-2-9)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387117 (4-ureidophenyl sulfamate ring derivative 3g | CHEM...) Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(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 PC cid PC sid UniChem Similars	Article PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387115 (CHEMBL2047797) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387116 (4-ureidophenyl sulfamate ring derivative 3x | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387125 (4-ureidophenyl sulfamate ring derivative 3j | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 Show InChI InChI=1S/C13H8F5N3O4S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25-26(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387124 (4-ureidophenyl sulfamate ring derivative 3i | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C19H17N3O5S/c20-28(24,25)27-18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387129 (4-ureidophenyl sulfamate ring derivative 3n | CHEM...) Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387127 (4-ureidophenyl sulfamate ring derivative 3l | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O4S/c16-23(20,21)22-14-8-6-13(7-9-14)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387131 (4-ureidophenyl sulfamate ring derivative 3p | CHEM...) Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50391384 (CHEMBL2148104) Show SMILES NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(-14.52,-41.63,;-13.19,-40.87,;-12.09,-39.79,;-13.96,-39.53,;-11.86,-41.64,;-10.51,-40.88,;-10.51,-39.34,;-9.17,-38.57,;-7.84,-39.35,;-6.5,-38.59,;-5.18,-39.37,;-5.19,-40.9,;-3.85,-38.6,;-2.52,-39.38,;-2.52,-40.92,;-1.19,-41.69,;.13,-40.93,;.15,-39.39,;-1.18,-38.61,;1.49,-38.63,;1.51,-37.09,;2.25,-39.77,;1.46,-41.7,;1.45,-43.24,;.11,-44,;.1,-45.53,;1.43,-46.32,;1.41,-47.86,;2.77,-45.57,;2.78,-44.02,;4.12,-43.26,;4.13,-41.72,;5.47,-40.96,;5.48,-39.42,;6.81,-38.65,;4.14,-38.63,;2.82,-39.42,;2.8,-40.94,;-7.84,-40.89,;-9.17,-41.65,)| Show InChI InChI=1S/C27H19N3O8S2/c28-40(35,36)38-18-6-1-14(2-7-18)29-27(39)30-15-3-8-19(22(11-15)26(33)34)25-20-9-4-16(31)12-23(20)37-24-13-17(32)5-10-21(24)25/h1-13,31H,(H,33,34)(H2,28,35,36)(H2,29,30,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50391385 (CHEMBL2148105) Show SMILES NS(=O)(=O)Oc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C29H23N2O3S/c30-35(32,33)34-27-18-16-26(17-19-27)31-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(31)24-14-8-3-9-15-24/h1-21H,(H2,30,32,33)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 5591-600 (2012) Article DOI: 10.1021/jm300529u BindingDB Entry DOI: 10.7270/Q23R0TZM
					More data for this Ligand-Target Pair
Glutamine-dependent NAD(+) synthetase (Homo sapiens (Human))	BDBM92599 (CHEMBL263057 | NAD Synthetase Inhibitor, 4) Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C Show InChI InChI=1S/C35H43N2O5/c1-37(2,3)30-17-15-27(16-18-30)23-34(38)41-22-12-7-5-6-11-21-36-32-20-19-31(42-26-28-13-9-8-10-14-28)24-29(32)25-33(36)35(39)40-4/h8-10,13-20,24-25H,5-7,11-12,21-23,26H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	8.5	37
National Institutes of Health					Assay Description Inhibition assay using NAD synthetase.				J Biol Chem 283: 19329-41 (2008) Article DOI: 10.1074/jbc.M800694200 BindingDB Entry DOI: 10.7270/Q27P8X0W
					More data for this Ligand-Target Pair
Glutamine-dependent NAD(+) synthetase (Homo sapiens (Human))	BDBM92597 (CHEMBL324501 | NAD Synthetase Inhibitor, 2) Show SMILES C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCn2ccc3cc(OCc4ccccc4)ccc23)cc1 Show InChI InChI=1S/C34H43N2O3/c1-36(2,3)31-17-15-28(16-18-31)25-34(37)38-24-12-7-5-4-6-11-22-35-23-21-30-26-32(19-20-33(30)35)39-27-29-13-9-8-10-14-29/h8-10,13-21,23,26H,4-7,11-12,22,24-25,27H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	8.5	37
National Institutes of Health					Assay Description Inhibition assay using NAD synthetase.				J Biol Chem 283: 19329-41 (2008) Article DOI: 10.1074/jbc.M800694200 BindingDB Entry DOI: 10.7270/Q27P8X0W
					More data for this Ligand-Target Pair
Glutamine-dependent NAD(+) synthetase (Homo sapiens (Human))	BDBM92600 (CHEMBL419944 | NAD Synthetase Inhibitor, 5) Show SMILES COC(=O)c1cc2ccccc2n1CCCCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C Show InChI InChI=1S/C30H41N2O4/c1-32(2,3)26-18-16-24(17-19-26)22-29(33)36-21-13-9-7-5-6-8-12-20-31-27-15-11-10-14-25(27)23-28(31)30(34)35-4/h10-11,14-19,23H,5-9,12-13,20-22H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.78E+4	n/a	n/a	n/a	n/a	8.5	37
National Institutes of Health					Assay Description Inhibition assay using NAD synthetase.				J Biol Chem 283: 19329-41 (2008) Article DOI: 10.1074/jbc.M800694200 BindingDB Entry DOI: 10.7270/Q27P8X0W
					More data for this Ligand-Target Pair
Glutamine-dependent NAD(+) synthetase (Homo sapiens (Human))	BDBM92598 (NAD Synthetase Inhibitor, 3) Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)Cc1ccc[n+](C)c1 Show InChI InChI=1S/C32H37N2O5/c1-33-17-11-14-26(23-33)20-31(35)38-19-10-5-3-4-9-18-34-29-16-15-28(39-24-25-12-7-6-8-13-25)21-27(29)22-30(34)32(36)37-2/h6-8,11-17,21-23H,3-5,9-10,18-20,24H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.33E+4	n/a	n/a	n/a	n/a	8.5	37
National Institutes of Health					Assay Description Inhibition assay using NAD synthetase.				J Biol Chem 283: 19329-41 (2008) Article DOI: 10.1074/jbc.M800694200 BindingDB Entry DOI: 10.7270/Q27P8X0W
					More data for this Ligand-Target Pair