BDBM50049520 CHEMBL3314185

SMILES: COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=RBWYJSXJAJEZIY-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 = 50049520   

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))	BDBM50049520 (CHEMBL3314185) Show SMILES COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H27N3O7S/c1-31-21(27)19(25-20(26)17-10-12-18(13-11-17)33(23,29)30)9-5-6-14-24-22(28)32-15-16-7-3-2-4-8-16/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,24,28)(H,25,26)(H2,23,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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 carbonic anhydrase 2 by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 826-30 (2014) Article DOI: 10.1021/ml500192a BindingDB Entry DOI: 10.7270/Q27P912D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50049520 (CHEMBL3314185) Show SMILES COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H27N3O7S/c1-31-21(27)19(25-20(26)17-10-12-18(13-11-17)33(23,29)30)9-5-6-14-24-22(28)32-15-16-7-3-2-4-8-16/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,24,28)(H,25,26)(H2,23,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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 carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 4006-10 (2014) Article DOI: 10.1016/j.bmcl.2014.06.024 BindingDB Entry DOI: 10.7270/Q2SX6FVX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50049520 (CHEMBL3314185) Show SMILES COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H27N3O7S/c1-31-21(27)19(25-20(26)17-10-12-18(13-11-17)33(23,29)30)9-5-6-14-24-22(28)32-15-16-7-3-2-4-8-16/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,24,28)(H,25,26)(H2,23,29,30)	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	89	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 carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 4006-10 (2014) Article DOI: 10.1016/j.bmcl.2014.06.024 BindingDB Entry DOI: 10.7270/Q2SX6FVX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50049520 (CHEMBL3314185) Show SMILES COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H27N3O7S/c1-31-21(27)19(25-20(26)17-10-12-18(13-11-17)33(23,29)30)9-5-6-14-24-22(28)32-15-16-7-3-2-4-8-16/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,24,28)(H,25,26)(H2,23,29,30)	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	89	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 carbonic anhydrase 1 by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 826-30 (2014) Article DOI: 10.1021/ml500192a BindingDB Entry DOI: 10.7270/Q27P912D
					More data for this Ligand-Target Pair