BDBM50271177 CHEMBL4127857

SMILES: COc1cccc(c1)C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O

InChI Key: InChIKey=CPEQGTWOIWIAFC-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 = 50271177   

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 (Homo sapiens (Human))	BDBM50271177 (CHEMBL4127857) Show SMILES COc1cccc(c1)C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11| Show InChI InChI=1S/C19H19N3O6S/c1-12(23)21-29(25,26)17-9-7-14(8-10-17)18-20-22(13(2)24)19(28-18)15-5-4-6-16(11-15)27-3/h4-11,19H,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50271177 (CHEMBL4127857) Show SMILES COc1cccc(c1)C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11| Show InChI InChI=1S/C19H19N3O6S/c1-12(23)21-29(25,26)17-9-7-14(8-10-17)18-20-22(13(2)24)19(28-18)15-5-4-6-16(11-15)27-3/h4-11,19H,1-3H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50271177 (CHEMBL4127857) Show SMILES COc1cccc(c1)C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11| Show InChI InChI=1S/C19H19N3O6S/c1-12(23)21-29(25,26)17-9-7-14(8-10-17)18-20-22(13(2)24)19(28-18)15-5-4-6-16(11-15)27-3/h4-11,19H,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	571	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50271177 (CHEMBL4127857) Show SMILES COc1cccc(c1)C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11| Show InChI InChI=1S/C19H19N3O6S/c1-12(23)21-29(25,26)17-9-7-14(8-10-17)18-20-22(13(2)24)19(28-18)15-5-4-6-16(11-15)27-3/h4-11,19H,1-3H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured ...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
					More data for this Ligand-Target Pair