BDBM50415862 CHEMBL382476

SMILES: NCCCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O

InChI Key: InChIKey=JRIYANAMUXMMOF-UHFFFAOYSA-N

Data: 4 KI

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 = 50415862   

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))	BDBM50415862 (CHEMBL382476) Show SMILES NCCCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C10H14ClN3O3S/c11-8-6-7(18(13,16)17)3-4-9(8)14-10(15)2-1-5-12/h3-4,6H,1-2,5,12H2,(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	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GITAM University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3089-93 (2010) Article DOI: 10.1016/j.bmcl.2010.03.104 BindingDB Entry DOI: 10.7270/Q28C9XGR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50415862 (CHEMBL382476) Show SMILES NCCCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C10H14ClN3O3S/c11-8-6-7(18(13,16)17)3-4-9(8)14-10(15)2-1-5-12/h3-4,6H,1-2,5,12H2,(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	3.23E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human CA2				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
					More data for this Ligand-Target Pair
Carbonic anhydrase (Bos taurus (bovine))	BDBM50415862 (CHEMBL382476) Show SMILES NCCCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C10H14ClN3O3S/c11-8-6-7(18(13,16)17)3-4-9(8)14-10(15)2-1-5-12/h3-4,6H,1-2,5,12H2,(H,14,15)(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of bovine CA4				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50415862 (CHEMBL382476) Show SMILES NCCCC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C10H14ClN3O3S/c11-8-6-7(18(13,16)17)3-4-9(8)14-10(15)2-1-5-12/h3-4,6H,1-2,5,12H2,(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	5.60E+11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human CA1				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
					More data for this Ligand-Target Pair