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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcriptional enhancer factor TEF-3' and Ligand = 'BDBM50535724'   
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-3


(Homo sapiens)		BDBM50535724
PNG
(CHEMBL4467555)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1CCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C97H139ClN24O21/c1-54(2)45-70(114-84(131)67(31-16-42-107-97(103)104)112-89(136)73(116-81(128)63-29-14-40-105-63)49-59-52-108-69-50-60(98)34-35-62(59)69)86(133)111-66(30-15-41-106-96(101)102)82(129)109-65(28-9-11-39-100)85(132)119-75(47-56-21-12-22-56)94(141)121-43-17-32-77(121)92(139)118-74(51-80(126)127)90(137)120-76(53-123)91(138)115-71(46-55-19-4-3-5-20-55)87(134)117-72(48-58-25-13-24-57-23-6-7-26-61(57)58)88(135)110-64(27-8-10-38-99)83(130)113-68(36-37-79(124)125)93(140)122-44-18-33-78(122)95(142)143/h3-7,13,19-20,23-26,34-35,50,52,54,56,63-68,70-78,105,108,123H,8-12,14-18,21-22,27-33,36-49,51,53,99-100H2,1-2H3,(H,109,129)(H,110,135)(H,111,133)(H,112,136)(H,113,130)(H,114,131)(H,115,138)(H,116,128)(H,117,134)(H,118,139)(H,119,132)(H,120,137)(H,124,125)(H,126,127)(H,142,143)(H4,101,102,106)(H4,103,104,107)/t63-,64-,65-,66-,67-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21 (DE3) interaction with N-biotinylated YAP (60 to 100 residues) inc...

Bioorg Med Chem Lett 29: 2316-2319 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.022
BindingDB Entry DOI: 10.7270/Q2WH2TH8
More data for this
Ligand-Target Pair