BDBM50415855 CHEMBL382035

SMILES: NCCCC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O

InChI Key: InChIKey=VISMUAYQCWUQKC-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 = 50415855   

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))	BDBM50415855 (CHEMBL382035) Show SMILES NCCCC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O3S2/c12-5-1-2-10(16)14-7-3-4-8-9(6-7)19-11(15-8)20(13,17)18/h3-4,6H,1-2,5,12H2,(H,14,16)(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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))	BDBM50415855 (CHEMBL382035) Show SMILES NCCCC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O3S2/c12-5-1-2-10(16)14-7-3-4-8-9(6-7)19-11(15-8)20(13,17)18/h3-4,6H,1-2,5,12H2,(H,14,16)(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+8	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))	BDBM50415855 (CHEMBL382035) Show SMILES NCCCC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O3S2/c12-5-1-2-10(16)14-7-3-4-8-9(6-7)19-11(15-8)20(13,17)18/h3-4,6H,1-2,5,12H2,(H,14,16)(H2,13,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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))	BDBM50415855 (CHEMBL382035) Show SMILES NCCCC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O3S2/c12-5-1-2-10(16)14-7-3-4-8-9(6-7)19-11(15-8)20(13,17)18/h3-4,6H,1-2,5,12H2,(H,14,16)(H2,13,17,18)	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	1.40E+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 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