BDBM246509 1-(4-Nitrophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinazolin-4-yl)phenyl)thiourea (4e)
SMILES: CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1
InChI Key: InChIKey=KGRNQSCNEXLPEZ-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM246509 (1-(4-Nitrophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sakarya University | Assay Description For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f... | J Enzyme Inhib Med Chem 29: 18-22 (2014) Article DOI: 10.3109/14756366.2012.746972 BindingDB Entry DOI: 10.7270/Q28S4NVM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM246509 (1-(4-Nitrophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sakarya University | Assay Description For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f... | J Enzyme Inhib Med Chem 29: 18-22 (2014) Article DOI: 10.3109/14756366.2012.746972 BindingDB Entry DOI: 10.7270/Q28S4NVM | |||||||||||
More data for this Ligand-Target Pair |