BDBM50031578 CHEMBL3359165

SMILES: CC(C)(C)OC(=O)NCCCOc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=IKUSUCOSTUIEBU-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 = 50031578   

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))	BDBM50031578 (CHEMBL3359165) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H22N2O5S/c1-14(2,3)21-13(17)16-9-4-10-20-11-5-7-12(8-6-11)22(15,18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA-2 by stopped flow CO2 hydrase assay				J Med Chem 57: 9673-86 (2014) Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50031578 (CHEMBL3359165) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H22N2O5S/c1-14(2,3)21-13(17)16-9-4-10-20-11-5-7-12(8-6-11)22(15,18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H2,15,18,19)	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	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA-9 by stopped flow CO2 hydrase assay				J Med Chem 57: 9673-86 (2014) Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50031578 (CHEMBL3359165) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H22N2O5S/c1-14(2,3)21-13(17)16-9-4-10-20-11-5-7-12(8-6-11)22(15,18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA-12 by stopped flow CO2 hydrase assay				J Med Chem 57: 9673-86 (2014) Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50031578 (CHEMBL3359165) Show SMILES CC(C)(C)OC(=O)NCCCOc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H22N2O5S/c1-14(2,3)21-13(17)16-9-4-10-20-11-5-7-12(8-6-11)22(15,18)19/h5-8H,4,9-10H2,1-3H3,(H,16,17)(H2,15,18,19)	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	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA-1 by stopped flow CO2 hydrase assay				J Med Chem 57: 9673-86 (2014) Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08
					More data for this Ligand-Target Pair