Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50034338   

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))	BDBM50168010 (4-Hydroxypentanoic acid lactone | 4-Hydroxyvaleric...) Show SMILES CC1CCC(=O)O1 Show InChI InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50360801 (CHEMBL1934666) Show SMILES OCC\C=C\C([O-])=O Show InChI InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h1,3,6H,2,4H2,(H,7,8)/p-1/b3-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 15 mins by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50360795 (CHEMBL55078) Show SMILES O=C1OCCC=C1 |c:5| Show InChI InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50360796 (CHEMBL1934663) Show SMILES O=c1cccco1 Show InChI InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50167999 (4,6-Dimethyl-pyran-2-one | CHEMBL372284) Show SMILES Cc1cc(C)oc(=O)c1 Show InChI InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3	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	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50360799 (CHEMBL1934664) Show SMILES S=c1cccco1 Show InChI InChI=1S/C5H4OS/c7-5-3-1-2-4-6-5/h1-4H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12342 (2H-chromen-2-one | CHEMBL6466 | Coumarin) Show SMILES O=c1ccc2ccccc2o1 Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H	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 Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50168001 (4-Methoxy-5H-furan-2-one | 4-methoxyfuran-2(5H)-on...) Show SMILES COC1=CC(=O)OC1 |t:2| Show InChI InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50146462 ((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50360797 (CHEMBL452383) Show SMILES O=C1CCCCO1 Show InChI InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	3.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50360798 (CHEMBL166223) Show SMILES O=C1OCC=C1 |c:4| Show InChI InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50168010 (4-Hydroxypentanoic acid lactone | 4-Hydroxyvaleric...) Show SMILES CC1CCC(=O)O1 Show InChI InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50360799 (CHEMBL1934664) Show SMILES S=c1cccco1 Show InChI InChI=1S/C5H4OS/c7-5-3-1-2-4-6-5/h1-4H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50360800 (CHEMBL1934665) Show SMILES Cc1cc(C)oc(=S)c1 Show InChI InChI=1S/C7H8OS/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50360796 (CHEMBL1934663) Show SMILES O=c1cccco1 Show InChI InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50360795 (CHEMBL55078) Show SMILES O=C1OCCC=C1 |c:5| Show InChI InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	8.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50360801 (CHEMBL1934666) Show SMILES OCC\C=C\C([O-])=O Show InChI InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h1,3,6H,2,4H2,(H,7,8)/p-1/b3-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 15 mins by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12342 (2H-chromen-2-one | CHEMBL6466 | Coumarin) Show SMILES O=c1ccc2ccccc2o1 Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H	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 Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50146462 ((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50360800 (CHEMBL1934665) Show SMILES Cc1cc(C)oc(=S)c1 Show InChI InChI=1S/C7H8OS/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50360797 (CHEMBL452383) Show SMILES O=C1CCCCO1 Show InChI InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50360798 (CHEMBL166223) Show SMILES O=C1OCC=C1 |c:4| Show InChI InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50167999 (4,6-Dimethyl-pyran-2-one | CHEMBL372284) Show SMILES Cc1cc(C)oc(=O)c1 Show InChI InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3	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	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50168001 (4-Methoxy-5H-furan-2-one | 4-methoxyfuran-2(5H)-on...) Show SMILES COC1=CC(=O)OC1 |t:2| Show InChI InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	6.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50360801 (CHEMBL1934666) Show SMILES OCC\C=C\C([O-])=O Show InChI InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h1,3,6H,2,4H2,(H,7,8)/p-1/b3-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 15 mins by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50146462 ((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM12342 (2H-chromen-2-one | CHEMBL6466 | Coumarin) Show SMILES O=c1ccc2ccccc2o1 Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H	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 Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50360800 (CHEMBL1934665) Show SMILES Cc1cc(C)oc(=S)c1 Show InChI InChI=1S/C7H8OS/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50360799 (CHEMBL1934664) Show SMILES S=c1cccco1 Show InChI InChI=1S/C5H4OS/c7-5-3-1-2-4-6-5/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50360798 (CHEMBL166223) Show SMILES O=C1OCC=C1 |c:4| Show InChI InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50168010 (4-Hydroxypentanoic acid lactone | 4-Hydroxyvaleric...) Show SMILES CC1CCC(=O)O1 Show InChI InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50360797 (CHEMBL452383) Show SMILES O=C1CCCCO1 Show InChI InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50167999 (4,6-Dimethyl-pyran-2-one | CHEMBL372284) Show SMILES Cc1cc(C)oc(=O)c1 Show InChI InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50360796 (CHEMBL1934663) Show SMILES O=c1cccco1 Show InChI InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50360795 (CHEMBL55078) Show SMILES O=C1OCCC=C1 |c:5| Show InChI InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50168001 (4-Methoxy-5H-furan-2-one | 4-methoxyfuran-2(5H)-on...) Show SMILES COC1=CC(=O)OC1 |t:2| Show InChI InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 22: 267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.018 BindingDB Entry DOI: 10.7270/Q22Z15ZW
					More data for this Ligand-Target Pair