Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 8432   

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 9 (Homo sapiens (Human))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	190	-35.7	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM248070 (4-Methyl-2H-benzo[g]chromen-2-one (5)) Show SMILES Cc1cc(=O)oc2cc3ccccc3cc12 Show InChI InChI=1S/C14H10O2/c1-9-6-14(15)16-13-8-11-5-3-2-4-10(11)7-12(9)13/h2-8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	-35.5	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM248069 (4-Methyl-2H-benzo[h]chromen-2-one (4)) Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21 Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	230	-35.2	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50022184 (7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...) Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12 Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	270	-34.9	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) Show SMILES Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3	PDB MMDB NCI pathway 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	450	-33.7	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM248070 (4-Methyl-2H-benzo[g]chromen-2-one (5)) Show SMILES Cc1cc(=O)oc2cc3ccccc3cc12 Show InChI InChI=1S/C14H10O2/c1-9-6-14(15)16-13-8-11-5-3-2-4-10(11)7-12(9)13/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	-29.1	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) Show SMILES Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3	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	4.30E+3	-28.5	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) Show SMILES Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3	PDB MMDB NCI pathway 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	4.80E+3	-28.2	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM248069 (4-Methyl-2H-benzo[h]chromen-2-one (4)) Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21 Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.50E+3	-27.9	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.40E+3	-27.6	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50022184 (7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...) Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12 Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.60E+3	-27.5	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM248070 (4-Methyl-2H-benzo[g]chromen-2-one (5)) Show SMILES Cc1cc(=O)oc2cc3ccccc3cc12 Show InChI InChI=1S/C14H10O2/c1-9-6-14(15)16-13-8-11-5-3-2-4-10(11)7-12(9)13/h2-8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+3	-27.0	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.40E+3	-26.9	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50022184 (7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...) Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12 Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.70E+3	-26.8	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM248069 (4-Methyl-2H-benzo[h]chromen-2-one (4)) Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21 Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.00E+3	-26.8	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM248069 (4-Methyl-2H-benzo[h]chromen-2-one (4)) Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21 Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50022184 (7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...) Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12 Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) Show SMILES Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3	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	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM248070 (4-Methyl-2H-benzo[g]chromen-2-one (5)) Show SMILES Cc1cc(=O)oc2cc3ccccc3cc12 Show InChI InChI=1S/C14H10O2/c1-9-6-14(15)16-13-8-11-5-3-2-4-10(11)7-12(9)13/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair