BDBM25896 EMD 486019::[2-(cycloheptylmethyl)-1,1-dioxo--benzothiophen-6-yl] sulfamate

SMILES: NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1

InChI Key: InChIKey=BIASYWBGUYOWJR-UHFFFAOYSA-N

Data: 12 KI

PDB links: 1 PDB ID matches this monomer.

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 = 25896   

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 12 (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	PDB Article PubMed	14	-10.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	18	-10.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	654	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	682	-8.41	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	842	-8.28	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	3.60E+3	-7.42	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM25896 (EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...) Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9| Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	7.40E+5	-4.27	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				Bioorg Med Chem Lett 18: 4282-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.105 BindingDB Entry DOI: 10.7270/Q27D2SF1
					More data for this Ligand-Target Pair