BDBM50059075 CHEMBL3326404

SMILES: NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCl)nn1

InChI Key: InChIKey=GDEIKYLBOPJGOR-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 = 50059075   

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 12 (Homo sapiens (Human))	BDBM50059075 (CHEMBL3326404) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCl)nn1 Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay				ACS Med Chem Lett 5: 927-30 (2014) Article DOI: 10.1021/ml500196t BindingDB Entry DOI: 10.7270/Q2ZS2Z68
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50059075 (CHEMBL3326404) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCl)nn1 Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(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	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay				ACS Med Chem Lett 5: 927-30 (2014) Article DOI: 10.1021/ml500196t BindingDB Entry DOI: 10.7270/Q2ZS2Z68
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50059075 (CHEMBL3326404) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCl)nn1 Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(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	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay				ACS Med Chem Lett 5: 927-30 (2014) Article DOI: 10.1021/ml500196t BindingDB Entry DOI: 10.7270/Q2ZS2Z68
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50059075 (CHEMBL3326404) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCl)nn1 Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(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	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay				ACS Med Chem Lett 5: 927-30 (2014) Article DOI: 10.1021/ml500196t BindingDB Entry DOI: 10.7270/Q2ZS2Z68
					More data for this Ligand-Target Pair