Target
Retinoic acid receptor alpha
Ligand
BDBM50091699
Substrate
n/a
Meas. Tech.
ChEMBL_430404 (CHEMBL916388)
IC50
410000±n/a nM
Citation
 Patel, JBHuynh, CKHandratta, VDGediya, LKBrodie, AMGoloubeva, OGClement, OONanne, IPSoprano, DRNjar, VC Novel retinoic acid metabolism blocking agents endowed with multiple biological activities are efficient growth inhibitors of human breast and prostate cancer cells in vitro and a human breast tumor xenograft in nude mice. J Med Chem 47:6716-29 (2004) [PubMed]  Article 
Target
Name:
Retinoic acid receptor alpha
Synonyms:
NR1B1 | Nuclear receptor subfamily 1 group B member 1 | RAR-alpha | RARA | RARA_HUMAN | Retinoic acid receptor alpha | Retinoic acid receptor alpha/Retinoid X receptor alpha | Retinoid X receptor gamma/retinoic acid receptor alpha | Retinoid receptor
Type:
PROTEIN
Mol. Mass.:
50778.87
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1466191
Residue:
462
Sequence:
MASNSSSCPTPGGGHLNGYPVPPYAFFFPPMLGGLSPPGALTTLQHQLPVSGYSTPSPATIETQSSSSEEIVPSPPSPPPLPRIYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMVYTCHRDKNCIINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKEVPKPECSESYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGLDTLSGQPGGGGRDGGGLAPPPGSCSPSLSPSSNRSSPATHSP
  
Inhibitor
Name:
BDBM50091699
Synonyms:
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-[1,2,4]triazol-4-yl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid | 4-((+/-)-(1H-1,2,4-triazol-4-yl)-(E)-retinoic acid | CHEMBL53449
Type:
Small organic molecule
Emp. Form.:
C22H29N3O2
Mol. Mass.:
367.4846
SMILES:
C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cnnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Structure:
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