BDBM50366036 CHEMBL1956578

SMILES: Cc1cc(C)o\c(c1)=N\O

InChI Key: InChIKey=RGIHLYZDGZKVDV-BQYQJAHWSA-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 = 50366036   

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))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	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 1 (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	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	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 9 (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	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	16	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 VA (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	36	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 VB (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	47	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))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	48	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))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	PDB UniProtKB/SwissProt 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 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 12 (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	64	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 4 (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	260	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 7 (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	270	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 III (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	710	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 2 (Homo sapiens (Human))	BDBM50366036 (CHEMBL1956578) Show SMILES Cc1cc(C)o\c(c1)=N\O Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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