Found 14 hits with Last Name = 'mesrouze' and Initial = 'y' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535723
(CHEMBL4567546)Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1(CC1)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](CC1CCC1)C(=O)N1C[C@H](O)C[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/C95H133ClN24O22/c96-57-30-31-60-56(49-106-67(60)46-57)45-70(112-78(127)61-26-12-38-103-61)84(133)109-65(28-14-40-105-94(101)102)87(136)118-95(34-35-95)92(142)117-64(27-13-39-104-93(99)100)81(130)107-63(25-7-9-37-98)80(129)115-72(43-53-18-10-19-53)90(139)120-50-58(122)47-75(120)88(137)114-71(48-77(125)126)85(134)116-73(51-121)86(135)111-68(42-52-16-2-1-3-17-52)82(131)113-69(44-55-22-11-21-54-20-4-5-23-59(54)55)83(132)108-62(24-6-8-36-97)79(128)110-66(32-33-76(123)124)89(138)119-41-15-29-74(119)91(140)141/h1-5,11,16-17,20-23,30-31,46,49,53,58,61-66,68-75,103,106,121-122H,6-10,12-15,18-19,24-29,32-45,47-48,50-51,97-98H2,(H,107,130)(H,108,132)(H,109,133)(H,110,128)(H,111,135)(H,112,127)(H,113,131)(H,114,137)(H,115,129)(H,116,134)(H,117,142)(H,118,136)(H,123,124)(H,125,126)(H,140,141)(H4,99,100,104)(H4,101,102,105)/t58-,61+,62+,63+,64+,65+,66+,68+,69+,70+,71+,72+,73+,74+,75+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535722
(CHEMBL4468725)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)N1C[C@H](O)C[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/C97H139ClN24O22/c1-53(2)42-70(114-84(132)67(30-16-40-107-97(103)104)112-89(137)73(116-81(129)63-28-14-38-105-63)46-58-50-108-69-47-59(98)32-33-62(58)69)86(134)111-66(29-15-39-106-96(101)102)82(130)109-65(27-9-11-37-100)85(133)119-75(44-55-20-12-21-55)94(142)122-51-60(124)48-78(122)92(140)118-74(49-80(127)128)90(138)120-76(52-123)91(139)115-71(43-54-18-4-3-5-19-54)87(135)117-72(45-57-24-13-23-56-22-6-7-25-61(56)57)88(136)110-64(26-8-10-36-99)83(131)113-68(34-35-79(125)126)93(141)121-41-17-31-77(121)95(143)144/h3-7,13,18-19,22-25,32-33,47,50,53,55,60,63-68,70-78,105,108,123-124H,8-12,14-17,20-21,26-31,34-46,48-49,51-52,99-100H2,1-2H3,(H,109,130)(H,110,136)(H,111,134)(H,112,137)(H,113,131)(H,114,132)(H,115,139)(H,116,129)(H,117,135)(H,118,140)(H,119,133)(H,120,138)(H,125,126)(H,127,128)(H,143,144)(H4,101,102,106)(H4,103,104,107)/t60-,63+,64+,65+,66+,67+,68+,70+,71+,72+,73+,74+,75+,76+,77+,78+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535724
(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/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535715
(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/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535716
(CHEMBL4514336)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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C97H139ClN24O19/c1-55(2)46-70(113-83(128)67(32-16-42-107-97(103)104)111-87(132)73(115-81(126)64-30-14-40-105-64)50-60-53-108-69-51-61(98)36-37-63(60)69)85(130)110-66(31-15-41-106-96(101)102)82(127)109-65(28-8-10-38-99)84(129)118-75(48-57-22-12-23-57)93(138)120-43-17-33-77(120)91(136)117-74(52-80(124)125)89(134)119-76(54-123)90(135)114-71(47-56-20-4-3-5-21-56)86(131)116-72(49-59-26-13-25-58-24-6-7-27-62(58)59)88(133)112-68(29-9-11-39-100)92(137)121-44-18-34-78(121)94(139)122-45-19-35-79(122)95(140)141/h3-7,13,20-21,24-27,36-37,51,53,55,57,64-68,70-79,105,108,123H,8-12,14-19,22-23,28-35,38-50,52,54,99-100H2,1-2H3,(H,109,127)(H,110,130)(H,111,132)(H,112,133)(H,113,128)(H,114,135)(H,115,126)(H,116,131)(H,117,136)(H,118,129)(H,119,134)(H,124,125)(H,140,141)(H4,101,102,106)(H4,103,104,107)/t64-,65-,66-,67-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535717
(CHEMBL4436894)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@@H]1CCCN1)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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C96H139ClN24O19/c1-4-5-28-67(111-82(127)64(29-11-13-39-98)108-81(126)65(32-17-42-105-95(100)101)109-84(129)70(47-55(2)3)113-83(128)66(33-18-43-106-96(102)103)110-86(131)73(115-80(125)63-31-16-41-104-63)50-59-53-107-69-51-60(97)37-38-62(59)69)91(136)119-44-19-34-76(119)90(135)117-74(52-79(123)124)88(133)118-75(54-122)89(134)114-71(48-56-22-7-6-8-23-56)85(130)116-72(49-58-26-15-25-57-24-9-10-27-61(57)58)87(132)112-68(30-12-14-40-99)92(137)120-45-20-35-77(120)93(138)121-46-21-36-78(121)94(139)140/h6-10,15,22-27,37-38,51,53,55,63-68,70-78,104,107,122H,4-5,11-14,16-21,28-36,39-50,52,54,98-99H2,1-3H3,(H,108,126)(H,109,129)(H,110,131)(H,111,127)(H,112,132)(H,113,128)(H,114,134)(H,115,125)(H,116,130)(H,117,135)(H,118,133)(H,123,124)(H,139,140)(H4,100,101,105)(H4,102,103,106)/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/a | n/a | 409 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535725
(CHEMBL4587571)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@@H]1CCCN1)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/C92H137ClN24O19/c1-4-5-26-63(107-78(123)60(27-12-14-37-94)104-77(122)61(30-17-40-101-91(96)97)105-80(125)66(45-53(2)3)109-79(124)62(31-18-41-102-92(98)99)106-83(128)69(112-76(121)59-29-16-39-100-59)48-56-51-103-65-49-57(93)35-36-58(56)65)87(132)115-42-19-32-72(115)86(131)113-70(50-75(119)120)84(129)114-71(52-118)85(130)111-68(47-55-24-10-7-11-25-55)82(127)110-67(46-54-22-8-6-9-23-54)81(126)108-64(28-13-15-38-95)88(133)116-43-20-33-73(116)89(134)117-44-21-34-74(117)90(135)136/h6-11,22-25,35-36,49,51,53,59-64,66-74,100,103,118H,4-5,12-21,26-34,37-48,50,52,94-95H2,1-3H3,(H,104,122)(H,105,125)(H,106,128)(H,107,123)(H,108,126)(H,109,124)(H,110,127)(H,111,130)(H,112,121)(H,113,131)(H,114,129)(H,119,120)(H,135,136)(H4,96,97,101)(H4,98,99,102)/t59-,60-,61-,62-,63-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535718
(CHEMBL4531597)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cccc(F)c1)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/C92H136ClFN24O19/c1-4-5-24-63(108-78(124)60(25-9-11-35-95)105-77(123)61(28-15-38-102-91(97)98)106-80(126)66(43-52(2)3)110-79(125)62(29-16-39-103-92(99)100)107-83(129)69(113-76(122)59-27-14-37-101-59)47-55-50-104-65-48-56(93)33-34-58(55)65)87(133)116-40-17-30-72(116)86(132)114-70(49-75(120)121)84(130)115-71(51-119)85(131)112-68(46-54-22-13-23-57(94)44-54)82(128)111-67(45-53-20-7-6-8-21-53)81(127)109-64(26-10-12-36-96)88(134)117-41-18-31-73(117)89(135)118-42-19-32-74(118)90(136)137/h6-8,13,20-23,33-34,44,48,50,52,59-64,66-74,101,104,119H,4-5,9-12,14-19,24-32,35-43,45-47,49,51,95-96H2,1-3H3,(H,105,123)(H,106,126)(H,107,129)(H,108,124)(H,109,127)(H,110,125)(H,111,128)(H,112,131)(H,113,122)(H,114,132)(H,115,130)(H,120,121)(H,136,137)(H4,97,98,102)(H4,99,100,103)/t59-,60-,61-,62-,63-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535719
(CHEMBL4440971)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](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/C92H137ClN24O19/c1-52(2)43-65(108-78(123)62(29-17-39-102-92(98)99)106-83(128)68(111-76(121)59-27-15-37-100-59)47-56-50-103-64-48-57(93)33-34-58(56)64)80(125)105-61(28-16-38-101-91(96)97)77(122)104-60(25-11-13-35-94)79(124)113-70(44-53(3)4)88(133)115-40-18-30-72(115)86(131)112-69(49-75(119)120)84(129)114-71(51-118)85(130)110-67(46-55-23-9-6-10-24-55)82(127)109-66(45-54-21-7-5-8-22-54)81(126)107-63(26-12-14-36-95)87(132)116-41-19-31-73(116)89(134)117-42-20-32-74(117)90(135)136/h5-10,21-24,33-34,48,50,52-53,59-63,65-74,100,103,118H,11-20,25-32,35-47,49,51,94-95H2,1-4H3,(H,104,122)(H,105,125)(H,106,128)(H,107,126)(H,108,123)(H,109,127)(H,110,130)(H,111,121)(H,112,131)(H,113,124)(H,114,129)(H,119,120)(H,135,136)(H4,96,97,101)(H4,98,99,102)/t59-,60-,61-,62-,63-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535720
(CHEMBL4555688)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)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/C92H138N24O19/c1-53(2)45-65(107-78(122)63(33-19-41-101-92(97)98)105-83(127)68(110-76(120)60-31-17-39-99-60)49-57-51-102-59-28-12-11-27-58(57)59)80(124)104-62(32-18-40-100-91(95)96)77(121)103-61(29-13-15-37-93)79(123)112-70(46-54(3)4)88(132)114-42-20-34-72(114)86(130)111-69(50-75(118)119)84(128)113-71(52-117)85(129)109-67(48-56-25-9-6-10-26-56)82(126)108-66(47-55-23-7-5-8-24-55)81(125)106-64(30-14-16-38-94)87(131)115-43-21-35-73(115)89(133)116-44-22-36-74(116)90(134)135/h5-12,23-28,51,53-54,60-74,99,102,117H,13-22,29-50,52,93-94H2,1-4H3,(H,103,121)(H,104,124)(H,105,127)(H,106,125)(H,107,122)(H,108,126)(H,109,129)(H,110,120)(H,111,130)(H,112,123)(H,113,128)(H,118,119)(H,134,135)(H4,95,96,100)(H4,97,98,101)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535727
(CHEMBL4444306)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1)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/C87H139N23O19/c1-6-7-28-56(97-71(114)55-31-18-39-94-55)72(115)99-59(33-20-41-96-87(92)93)74(117)102-61(45-51(2)3)76(119)100-58(32-19-40-95-86(90)91)73(116)98-57(29-14-16-37-88)75(118)106-65(46-52(4)5)83(126)108-42-21-34-67(108)81(124)105-64(49-70(112)113)79(122)107-66(50-111)80(123)104-63(48-54-26-12-9-13-27-54)78(121)103-62(47-53-24-10-8-11-25-53)77(120)101-60(30-15-17-38-89)82(125)109-43-22-35-68(109)84(127)110-44-23-36-69(110)85(128)129/h8-13,24-27,51-52,55-69,94,111H,6-7,14-23,28-50,88-89H2,1-5H3,(H,97,114)(H,98,116)(H,99,115)(H,100,119)(H,101,120)(H,102,117)(H,103,121)(H,104,123)(H,105,124)(H,106,118)(H,107,122)(H,112,113)(H,128,129)(H4,90,91,95)(H4,92,93,96)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.77E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535721
(CHEMBL4543880)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1)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/C86H137N23O19S/c1-50(2)44-60(101-72(115)57(30-18-39-95-86(91)92)97-74(117)58(34-43-129-5)99-70(113)54-28-16-37-93-54)75(118)98-56(29-17-38-94-85(89)90)71(114)96-55(26-12-14-35-87)73(116)105-64(45-51(3)4)82(125)107-40-19-31-66(107)80(123)104-63(48-69(111)112)78(121)106-65(49-110)79(122)103-62(47-53-24-10-7-11-25-53)77(120)102-61(46-52-22-8-6-9-23-52)76(119)100-59(27-13-15-36-88)81(124)108-41-20-32-67(108)83(126)109-42-21-33-68(109)84(127)128/h6-11,22-25,50-51,54-68,93,110H,12-21,26-49,87-88H2,1-5H3,(H,96,114)(H,97,117)(H,98,118)(H,99,113)(H,100,119)(H,101,115)(H,102,120)(H,103,122)(H,104,123)(H,105,116)(H,106,121)(H,111,112)(H,127,128)(H4,89,90,94)(H4,91,92,95)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535726
(CHEMBL4522272)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)=O |r| Show InChI InChI=1S/C63H100N14O23/c1-11-12-18-39(63(99)100)70-61(97)49(31(6)7)76-52(88)33(9)67-56(92)43(26-45(65)80)74-59(95)42(25-35-16-14-13-15-17-35)73-58(94)40(23-29(2)3)71-51(87)32(8)66-54(90)37(19-21-46(81)82)69-57(93)41(24-30(4)5)72-60(96)44(27-48(85)86)75-62(98)50(34(10)79)77-55(91)38(20-22-47(83)84)68-53(89)36(64)28-78/h13-17,29-34,36-44,49-50,78-79H,11-12,18-28,64H2,1-10H3,(H2,65,80)(H,66,90)(H,67,92)(H,68,89)(H,69,93)(H,70,97)(H,71,87)(H,72,96)(H,73,94)(H,74,95)(H,75,98)(H,76,88)(H,77,91)(H,81,82)(H,83,84)(H,85,86)(H,99,100)/t32-,33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-,50-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50535722
(CHEMBL4468725)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)N1C[C@H](O)C[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/C97H139ClN24O22/c1-53(2)42-70(114-84(132)67(30-16-40-107-97(103)104)112-89(137)73(116-81(129)63-28-14-38-105-63)46-58-50-108-69-47-59(98)32-33-62(58)69)86(134)111-66(29-15-39-106-96(101)102)82(130)109-65(27-9-11-37-100)85(133)119-75(44-55-20-12-21-55)94(142)122-51-60(124)48-78(122)92(140)118-74(49-80(127)128)90(138)120-76(52-123)91(139)115-71(43-54-18-4-3-5-19-54)87(135)117-72(45-57-24-13-23-56-22-6-7-25-61(56)57)88(136)110-64(26-8-10-36-99)83(131)113-68(34-35-79(125)126)93(141)121-41-17-31-77(121)95(143)144/h3-7,13,18-19,22-25,32-33,47,50,53,55,60,63-68,70-78,105,108,123-124H,8-12,14-17,20-21,26-31,34-46,48-49,51-52,99-100H2,1-2H3,(H,109,130)(H,110,136)(H,111,134)(H,112,137)(H,113,131)(H,114,132)(H,115,139)(H,116,129)(H,117,135)(H,118,140)(H,119,133)(H,120,138)(H,125,126)(H,127,128)(H,143,144)(H4,101,102,106)(H4,103,104,107)/t60-,63+,64+,65+,66+,67+,68+,70+,71+,72+,73+,74+,75+,76+,77+,78+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to Avi-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay |
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 | |
Search and Browse
