BDBM11031 2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide::2-valproylamido-5-sulfonamidoindane::CHEMBL381730::Indanesulfonamide Derivative 12a

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

InChI Key: InChIKey=XBYJCVDSFWJBSM-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 11031   

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))	BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.900	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 (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	9.30	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))	BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	28	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 9 (Homo sapiens (Human))	BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	282	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 XIV (Homo sapiens (Human))	BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	658	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 1 (Homo sapiens (Human))	BDBM11031 (2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...) Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4.13E+3	-7.27	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