BDBM11036 2-ethylamido-5-sulfonamidoindane::CHEMBL204740::Indanesulfonamide Derivative 12d::N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide

SMILES: CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O

InChI Key: InChIKey=PFHQSNAQKZORAY-UHFFFAOYSA-N

Data: 6 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 6 hits for monomerid = 11036   

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 7 (Homo sapiens (Human))	BDBM11036 (2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...) Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 by CO2 hydration assay				Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM11036 (2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...) Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay				Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11036 (2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...) Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					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 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM11036 (2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...) Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 by CO2 hydration assay				Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM11036 (2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...) Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					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 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM11036 (2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...) Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.44E+3	-7.37	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Namur					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 49: 2743-9 (2006) Article DOI: 10.1021/jm0600287 BindingDB Entry DOI: 10.7270/Q25B00PK
					More data for this Ligand-Target Pair