Found 2 hits Enz. Inhib. hit(s) with Target = 'Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase' and Ligand = 'BDBM50598832' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598832
(CHEMBL5185146)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(Br)ccc3nc12 |(3.2,-2.98,;3.49,-1.78,;4.97,-1.35,;5.34,.14,;4.22,1.21,;4.51,2.41,;2.74,.78,;1.85,1.63,;2.38,-.72,;.88,-1.04,;.25,-2.45,;.87,-3.52,;-1.28,-2.29,;-2.31,-3.43,;-3.51,-3.18,;-1.93,-4.61,;-1.6,-.78,;-2.93,-.01,;-2.93,1.53,;-4.27,2.3,;-4.27,3.84,;-5.34,4.45,;-2.93,4.61,;-1.6,3.84,;-1.6,2.3,;-.27,1.53,;-.27,-.01,)| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598832
(CHEMBL5185146)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(Br)ccc3nc12 |(3.2,-2.98,;3.49,-1.78,;4.97,-1.35,;5.34,.14,;4.22,1.21,;4.51,2.41,;2.74,.78,;1.85,1.63,;2.38,-.72,;.88,-1.04,;.25,-2.45,;.87,-3.52,;-1.28,-2.29,;-2.31,-3.43,;-3.51,-3.18,;-1.93,-4.61,;-1.6,-.78,;-2.93,-.01,;-2.93,1.53,;-4.27,2.3,;-4.27,3.84,;-5.34,4.45,;-2.93,4.61,;-1.6,3.84,;-1.6,2.3,;-.27,1.53,;-.27,-.01,)| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |