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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcriptional enhancer factor TEF-1' and Ligand = 'BDBM50497297'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Transcriptional enhancer factor TEF-1


(Homo sapiens)		BDBM50497297
PNG
(CHEMBL3335459)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C93H145N23O21S2/c1-8-9-29-63-89(134)113-43-21-33-70(113)86(131)100-55(6)77(122)111-68(51-117)84(129)109-66(49-57-25-12-10-13-26-57)83(128)112-69(85(130)107-64(31-17-19-41-95)90(135)116-46-24-36-73(116)91(136)114-44-22-34-71(114)87(132)102-59(76(96)121)37-38-74(119)120)52-139-138-47-39-62(105-82(127)67(50-58-27-14-11-15-28-58)110-88(133)72-35-23-45-115(72)92(137)75(54(4)5)101-56(7)118)80(125)108-65(48-53(2)3)81(126)104-61(32-20-42-99-93(97)98)78(123)103-60(79(124)106-63)30-16-18-40-94/h10-15,25-28,53-55,59-73,75,117H,8-9,16-24,29-52,94-95H2,1-7H3,(H2,96,121)(H,100,131)(H,101,118)(H,102,132)(H,103,123)(H,104,126)(H,105,127)(H,106,124)(H,107,130)(H,108,125)(H,109,129)(H,110,133)(H,111,122)(H,112,128)(H,119,120)(H4,97,98,99)/t55-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of YAP/ GST-TEAD1 (unknown origin) interaction by surface plasmon resonance assay

ACS Med Chem Lett 5: 993-8 (2014)


Article DOI: 10.1021/ml500160m
BindingDB Entry DOI: 10.7270/Q28P63H7
More data for this
Ligand-Target Pair