BDBM50300203 (S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one::6-(1S-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one::CHEMBL572366

SMILES: COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C

InChI Key: InChIKey=ZRXJDVGAMZQYJX-LBPRGKRZSA-N

Data: 38 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50300203   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Zn finger protein (Nicotiana tabacum)	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	48.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	54.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	59	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 recombinant CA2 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human full-length cytosolic CA2 after 6 hrs by stopped flow CO2 hydration assay				J Med Chem 54: 8271-7 (2011) Article DOI: 10.1021/jm200983e BindingDB Entry DOI: 10.7270/Q2KP82MQ
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Association of Human Genetics Curated by ChEMBL					Assay Description Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method				J Med Chem 56: 293-300 (2013) Article DOI: 10.1021/jm301625s BindingDB Entry DOI: 10.7270/Q2XK8GVW
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human full-length cytosolic CA1 after 6 hrs by stopped flow CO2 hydration assay				J Med Chem 54: 8271-7 (2011) Article DOI: 10.1021/jm200983e BindingDB Entry DOI: 10.7270/Q2KP82MQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	78	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 recombinant CA1 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Association of Human Genetics Curated by ChEMBL					Assay Description Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method				J Med Chem 56: 293-300 (2013) Article DOI: 10.1021/jm301625s BindingDB Entry DOI: 10.7270/Q2XK8GVW
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.80E+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 recombinant CA4 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 15 (Mus musculus)	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.80E+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 recombinant CA14 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.86E+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 recombinant CA13 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.77E+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 recombinant CA5B by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.79E+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 recombinant CA7 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.57E+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 recombinant CA6 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assay				J Med Chem 54: 8271-7 (2011) Article DOI: 10.1021/jm200983e BindingDB Entry DOI: 10.7270/Q2KP82MQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Association of Human Genetics Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method				J Med Chem 56: 293-300 (2013) Article DOI: 10.1021/jm301625s BindingDB Entry DOI: 10.7270/Q2XK8GVW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.86E+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 recombinant CA12 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Association of Human Genetics Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method				J Med Chem 56: 293-300 (2013) Article DOI: 10.1021/jm301625s BindingDB Entry DOI: 10.7270/Q2XK8GVW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay				J Med Chem 54: 8271-7 (2011) Article DOI: 10.1021/jm200983e BindingDB Entry DOI: 10.7270/Q2KP82MQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.45E+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 recombinant CA9 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 15 (Mus musculus)	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.31E+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 mouse recombinant CA15 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.60E+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 recombinant CA5A by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+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 recombinant CA3 by stopped flow CO2 hydrase assay				J Med Chem 53: 850-4 (2010) Article DOI: 10.1021/jm901524f BindingDB Entry DOI: 10.7270/Q2PV6M96
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50300203 ((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...) Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r| Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair