BDBM50423787 4-Propyl-Benzenesulfonamide::4-Propylbenzenesulfonamide::CHEMBL148660

SMILES: CCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=CICCMHNIYTXWRF-UHFFFAOYSA-N

Data: 2 KI  2 Kd

PDB links: 2 PDB IDs match 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 4 hits for monomerid = 50423787   

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))	BDBM50423787 (4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...) Show SMILES CCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Graduate School Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2				Bioorg Med Chem Lett 21: 141-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.050 BindingDB Entry DOI: 10.7270/Q2K938T6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50423787 (4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...) Show SMILES CCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Graduate School Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2				Bioorg Med Chem Lett 21: 141-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.050 BindingDB Entry DOI: 10.7270/Q2K938T6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50423787 (4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...) Show SMILES CCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	5.78E+4	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR...				J Med Chem 59: 4245-56 (2016) BindingDB Entry DOI: 10.7270/Q2PV6NB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50423787 (4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfo...) Show SMILES CCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	6.06E+4	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as steady state dissociation co...				J Med Chem 59: 4245-56 (2016) BindingDB Entry DOI: 10.7270/Q2PV6NB2
					More data for this Ligand-Target Pair