Reaction Details Report a problem with these data
Target
Retinoblastoma-associated protein
Ligand
BDBM50267481
Substrate
n/a
Meas. Tech.
ChEMBL_563039 (CHEMBL1011869)
IC50
200±n/a nM
Citation
 Tsou, HR; Liu, X; Birnberg, G; Kaplan, J; Otteng, M; Tran, T; Kutterer, K; Tang, Z; Suayan, R; Zask, A; Ravi, M; Bretz, A; Grillo, M; McGinnis, JP; Rabindran, SK; Ayral-Kaloustian, S; Mansour, TS Discovery of 4-(benzylaminomethylene)isoquinoline-1,3-(2H,4H)-diones and 4-[(pyridylmethyl)aminomethylene]isoquinoline-1,3-(2H,4H)-diones as potent and selective inhibitors of the cyclin-dependent kinase 4. J Med Chem 52:2289-310 (2009) [PubMed]  Article 
Target
Name:
Retinoblastoma-associated protein
Synonyms:
RB1 | RB_HUMAN | Rb | pRb | pp110 | retinoblastoma
Type:
Other Protein Type
Mol. Mass.:
106170.80
Organism:
Homo sapiens (Human)
Description:
P06400
Residue:
928
Sequence:
MPPKTPRKTAATAAAAAAEPPAPPPPPPPEEDPEQDSGPEDLPLVRLEFEETEEPDFTALCQKLKIPDHVRERAWLTWEKVSSVDGVLGGYIQKKKELWGICIFIAAVDLDEMSFTFTELQKNIEISVHKFFNLLKEIDTSTKVDNAMSRLLKKYDVLFALFSKLERTCELIYLTQPSSSISTEINSALVLKVSWITFLLAKGEVLQMEDDLVISFQLMLCVLDYFIKLSPPMLLKEPYKTAVIPINGSPRTPRRGQNRSARIAKQLENDTRIIEVLCKEHECNIDEVKNVYFKNFIPFMNSLGLVTSNGLPEVENLSKRYEEIYLKNKDLDARLFLDHDKTLQTDSIDSFETQRTPRKSNLDEEVNVIPPHTPVRTVMNTIQQLMMILNSASDQPSENLISYFNNCTVNPKESILKRVKDIGYIFKEKFAKAVGQGCVEIGSQRYKLGVRLYYRVMESMLKSEEERLSIQNFSKLLNDNIFHMSLLACALEVVMATYSRSTSQNLDSGTDLSFPWILNVLNLKAFDFYKVIESFIKAEGNLTREMIKHLERCEHRIMESLAWLSDSPLFDLIKQSKDREGPTDHLESACPLNLPLQNNHTAADMYLSPVRSPKKKGSTTRVNSTANAETQATSAFQTQKPLKSTSLSLFYKKVYRLAYLRLNTLCERLLSEHPELEHIIWTLFQHTLQNEYELMRDRHLDQIMMCSMYGICKVKNIDLKFKIIVTAYKDLPHAVQETFKRVLIKEEEYDSIIVFYNSVFMQRLKTNILQYASTRPPTLSPIPHIPRSPYKFPSSPLRIPGGNIYISPLKSPYKISEGLPTPTKMTPRSRILVSIGESFGTSEKFQKINQMVCNSDRVLKRSAEGSNPPKPLKKLRFDIEGSDEADGSKHLPGESKFQQKLAEMTSTRTRMQKQKMNDSMDTSNKEEK
  
Inhibitor
Name:
BDBM50267481
Synonyms:
6-tert-Butyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino]-methylene}-4H-isoquinoline-1,3-dione | CHEMBL515631
Type:
Small organic molecule
Emp. Form.:
C23H27N3O4
Mol. Mass.:
409.4782
SMILES:
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O |w:10.9|
Structure:
Search PDB for entries with ligand similarity: