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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 = 'BDBM50535715'   
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)		BDBM50535715
PNG
(CHEMBL4476332)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)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](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C200H320N52O57/c1-23-25-56-117(165(275)220-122(62-43-79-214-200(211)212)167(277)230-128(87-101(5)6)174(284)221-121(61-42-78-213-199(209)210)166(276)219-119(58-36-39-75-201)169(279)238-137(89-103(9)10)193(303)247-80-45-64-141(247)187(297)236-135(96-152(266)267)181(291)240-139(99-254)183(293)234-132(92-115-54-34-29-35-55-115)178(288)233-130(90-113-50-30-27-31-51-113)177(287)227-126(60-38-41-77-203)192(302)251-84-48-67-144(251)195(305)252-85-49-68-145(252)198(308)309)223-185(295)142-65-46-83-250(142)197(307)156(106(15)16)243-191(301)159(112(22)257)246-171(281)123(69-72-146(205)258)225-186(296)143-66-47-82-249(143)196(306)155(105(13)14)242-182(292)134(94-148(207)260)229-161(271)108(18)217-189(299)157(110(20)255)244-170(280)120(59-37-40-76-202)224-184(294)140-63-44-81-248(140)194(304)138(95-149(208)261)239-168(278)118(57-26-24-2)226-188(298)154(104(11)12)241-162(272)109(19)216-173(283)133(93-147(206)259)235-179(289)131(91-114-52-32-28-33-53-114)232-176(286)127(86-100(3)4)228-160(270)107(17)215-164(274)124(70-73-150(262)263)222-175(285)129(88-102(7)8)231-180(290)136(97-153(268)269)237-190(300)158(111(21)256)245-172(282)125(71-74-151(264)265)218-163(273)116(204)98-253/h27-35,50-55,100-112,116-145,154-159,253-257H,23-26,36-49,56-99,201-204H2,1-22H3,(H2,205,258)(H2,206,259)(H2,207,260)(H2,208,261)(H,215,274)(H,216,283)(H,217,299)(H,218,273)(H,219,276)(H,220,275)(H,221,284)(H,222,285)(H,223,295)(H,224,294)(H,225,296)(H,226,298)(H,227,287)(H,228,270)(H,229,271)(H,230,277)(H,231,290)(H,232,286)(H,233,288)(H,234,293)(H,235,289)(H,236,297)(H,237,300)(H,238,279)(H,239,278)(H,240,291)(H,241,272)(H,242,292)(H,243,301)(H,244,280)(H,245,282)(H,246,281)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,308,309)(H4,209,210,213)(H4,211,212,214)/t107-,108-,109-,110+,111+,112+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,154-,155-,156-,157-,158-,159-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/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