BDBM33280 CHEMBL153094::aliphatic sulfamate, 2

SMILES: CCCCCCCCCCOS(N)(=O)=O

InChI Key: InChIKey=JBKMRMOTMJVNML-UHFFFAOYSA-N

Data: 18 KI

PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to 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 18 hits for monomerid = 33280   

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 2 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II.				J Med Chem 46: 5471-7 (2003) Article DOI: 10.1021/jm030911u BindingDB Entry DOI: 10.7270/Q2KP81KV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.700	-12.4	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase IX.				J Med Chem 46: 5471-7 (2003) Article DOI: 10.1021/jm030911u BindingDB Entry DOI: 10.7270/Q2KP81KV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	23.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	67.6	-9.71	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	88.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase IX.				J Med Chem 46: 5471-7 (2003) Article DOI: 10.1021/jm030911u BindingDB Entry DOI: 10.7270/Q2KP81KV
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I.				J Med Chem 46: 5471-7 (2003) Article DOI: 10.1021/jm030911u BindingDB Entry DOI: 10.7270/Q2KP81KV
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	530	-8.50	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	711	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	805	-8.25	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	877	-8.20	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	888	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	956	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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...				J Med Chem 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II.				J Med Chem 46: 5471-7 (2003) Article DOI: 10.1021/jm030911u BindingDB Entry DOI: 10.7270/Q2KP81KV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM33280 (CHEMBL153094 | aliphatic sulfamate, 2) Show SMILES CCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I.				J Med Chem 46: 5471-7 (2003) Article DOI: 10.1021/jm030911u BindingDB Entry DOI: 10.7270/Q2KP81KV
					More data for this Ligand-Target Pair