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Compile Data Set for Download or QSAR

Found 10 hits of ec50 data for polymerid = 50004767   
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
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM36609
PNG
(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)
Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50345546
PNG
(CHEMBL1784378 | Cryptocaryol G)
Show SMILES CCCCCCCCCCCC\C=C/CCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O |r,c:42|
Show InChI InChI=1S/C39H72O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(40)29-34(41)30-35(42)31-36(43)32-38-37(44)27-28-39(45)46-38/h13-14,27-28,33-38,40-44H,2-12,15-26,29-32H2,1H3/b14-13-/t33-,34+,35+,36+,37+,38+/m1/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50345543
PNG
(CHEMBL1784375 | Cryptocaryol D)
Show SMILES CCCCCCCCCCCCCCC[C@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O)OC(C)=O |r,c:33|
Show InChI InChI=1S/C32H58O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29(40-24(2)33)22-27(36)20-25(34)19-26(35)21-28(37)23-31-30(38)17-18-32(39)41-31/h17-18,25-31,34-38H,3-16,19-23H2,1-2H3/t25-,26+,27-,28+,29-,30+,31+/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50345542
PNG
(CHEMBL1784374 | Cryptocaryol C)
Show SMILES CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O |r,c:34|
Show InChI InChI=1S/C30H56O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(31)18-24(32)19-25(33)20-26(34)21-27(35)22-29-28(36)16-17-30(37)38-29/h16-17,23-29,31-36H,2-15,18-22H2,1H3/t23-,24+,25+,26+,27+,28+,29+/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50345544
PNG
(CHEMBL1784376 | Cryptocaryol E)
Show SMILES CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O |r,c:31|
Show InChI InChI=1S/C28H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)18-23(30)19-24(31)20-25(32)21-27-26(33)16-17-28(34)35-27/h16-17,22-27,29-33H,2-15,18-21H2,1H3/t22-,23+,24+,25+,26+,27+/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50345547
PNG
(CHEMBL1784379 | Cryptocaryol H)
Show SMILES CCCCCCCCCCCC\C=C/CCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O |r,c:39|
Show InChI InChI=1S/C37H68O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(38)29-33(39)30-34(40)31-36-35(41)27-28-37(42)43-36/h13-14,27-28,32-36,38-41H,2-12,15-26,29-31H2,1H3/b14-13-/t32-,33+,34+,35+,36+/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50598483
PNG
(CHEMBL5170759)
Show SMILES CCOC(=O)c1nc(oc1C)-c1ccc(OC)cc1
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n/an/an/an/a 2.25E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00189
BindingDB Entry DOI: 10.7270/Q2F76HK5
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50345541
PNG
(CHEMBL1784373 | Cryptocaryol B)
Show SMILES CCCCCCCCCCCCCCC[C@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H]1CC=CC(=O)O1)OC(C)=O |r,c:31|
Show InChI InChI=1S/C32H58O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-30(39-25(2)33)23-28(36)21-26(34)20-27(35)22-29(37)24-31-18-16-19-32(38)40-31/h16,19,26-31,34-37H,3-15,17-18,20-24H2,1-2H3/t26-,27+,28-,29+,30-,31-/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50345545
PNG
(CHEMBL1784377 | Cryptocaryol F)
Show SMILES CCCCCCCCCCCC\C=C/CCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O |r,c:45|
Show InChI InChI=1S/C41H76O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-34(42)29-35(43)30-36(44)31-37(45)32-38(46)33-40-39(47)27-28-41(48)49-40/h13-14,27-28,34-40,42-47H,2-12,15-26,29-33H2,1H3/b14-13-/t34-,35+,36+,37+,38+,39+,40+/m1/s1
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n/an/an/an/a 3.50E+3n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair
Programmed cell death protein 4


(Homo sapiens (Human))		BDBM50345540
PNG
(CHEMBL1784372 | Cryptocaryol A)
Show SMILES CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H]1CC=CC(=O)O1 |r,c:32|
Show InChI InChI=1S/C30H56O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(31)19-25(32)20-26(33)21-27(34)22-28(35)23-29-17-15-18-30(36)37-29/h15,18,24-29,31-35H,2-14,16-17,19-23H2,1H3/t24-,25+,26+,27+,28+,29-/m1/s1
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n/an/an/an/a 4.90E+3n/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required...

J Nat Prod 74: 1015-20 (2011)


Article DOI: 10.1021/np100918z
BindingDB Entry DOI: 10.7270/Q2JD4X46
More data for this
Ligand-Target Pair