BDBM50358924 CHEMBL1923681

SMILES: COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=NYMFGLSRLFYOTE-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 = 50358924   

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 9 (Homo sapiens (Human))	BDBM50358924 (CHEMBL1923681) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H17N3O5S/c1-24-14-6-7-15-12(10-14)8-9-18(25(17,22)23)16(15)11-2-4-13(5-3-11)19(20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,22,23)	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 7003-7 (2011) Article DOI: 10.1016/j.bmc.2011.10.015 BindingDB Entry DOI: 10.7270/Q2C24WV6
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50358924 (CHEMBL1923681) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H17N3O5S/c1-24-14-6-7-15-12(10-14)8-9-18(25(17,22)23)16(15)11-2-4-13(5-3-11)19(20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 7003-7 (2011) Article DOI: 10.1016/j.bmc.2011.10.015 BindingDB Entry DOI: 10.7270/Q2C24WV6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50358924 (CHEMBL1923681) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H17N3O5S/c1-24-14-6-7-15-12(10-14)8-9-18(25(17,22)23)16(15)11-2-4-13(5-3-11)19(20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 7003-7 (2011) Article DOI: 10.1016/j.bmc.2011.10.015 BindingDB Entry DOI: 10.7270/Q2C24WV6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50358924 (CHEMBL1923681) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H17N3O5S/c1-24-14-6-7-15-12(10-14)8-9-18(25(17,22)23)16(15)11-2-4-13(5-3-11)19(20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,22,23)	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	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 7003-7 (2011) Article DOI: 10.1016/j.bmc.2011.10.015 BindingDB Entry DOI: 10.7270/Q2C24WV6
					More data for this Ligand-Target Pair