BDBM246511 1-(3-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquina zolin-4-yl)phenyl)thiourea (4g)
SMILES: COc1cccc(NC(=S)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1
InChI Key: InChIKey=IPZWAFRGBMAUMD-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)) | BDBM246511 (1-(3-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-ox...) | 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 | 1.70E+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)) | BDBM246511 (1-(3-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-ox...) | 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 | 1.64E+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 |