BDBM50366033 ASUNTOL

SMILES: CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1

InChI Key: InChIKey=BXNANOICGRISHX-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50366033   

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
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	2.23E+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 carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	3.41E+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 carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	4.14E+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 carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	4.23E+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 carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	4.62E+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 carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	4.68E+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 carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	5.09E+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 carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	5.48E+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 recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	6.41E+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 carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	9.52E+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 recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	6.17E+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 carbonic anhydrase 1 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50366033 (ASUNTOL) Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	>2.00E+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 carbonic anhydrase 2 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method				Bioorg Med Chem Lett 22: 2182-5 (2012) Article DOI: 10.1016/j.bmcl.2012.01.129 BindingDB Entry DOI: 10.7270/Q2FJ2H78
					More data for this Ligand-Target Pair