BDBM50147752 CHEMBL3763877

SMILES: COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC

InChI Key: InChIKey=HXFUVTWNRPNMFV-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 = 50147752   

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))	BDBM50147752 (CHEMBL3763877) Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DAIS Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50147752 (CHEMBL3763877) Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DAIS Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50147752 (CHEMBL3763877) Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DAIS Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50147752 (CHEMBL3763877) Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DAIS Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1402-7 (2016) BindingDB Entry DOI: 10.7270/Q27H1MG2
					More data for this Ligand-Target Pair