BDBM50131680 CHEMBL3628212

SMILES: Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1

InChI Key: InChIKey=OXEXRXXOYLBVDO-RMKNXTFCSA-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 = 50131680   

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 XIV (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	310	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 carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	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 carbonic anhydrase 6 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	720	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 carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	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 carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	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 catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+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 catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+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 carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+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 carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+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 carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50131680 (CHEMBL3628212) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1 Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+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 carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair