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Compile Data Set for Download or QSAR

Found 9 hits of ic50 data for polymerid = 50004827   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50353187
PNG
(CHEMBL1829511)
Show SMILES CN(C)CCCOc1ccc(cn1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C23H24N6O/c1-29(2)12-5-13-30-22-8-7-18(15-26-22)21-14-17(9-11-25-21)19-16-27-28-23(19)20-6-3-4-10-24-20/h3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,27,28)
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n/an/a 11n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by lucifera...

Bioorg Med Chem Lett 21: 5642-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.120
BindingDB Entry DOI: 10.7270/Q2K937X4
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50184879
PNG
(CHEMBL424676 | dimethyl-{2-[(4-{4-[3-(pyridin-2-yl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C23H23N5O/c1-28(2)13-14-29-19-8-6-17(7-9-19)22-15-18(10-12-25-22)20-16-26-27-23(20)21-5-3-4-11-24-21/h3-12,15-16H,13-14H2,1-2H3,(H,26,27)
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n/an/a 19n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by lucifera...

Bioorg Med Chem Lett 21: 5642-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.120
BindingDB Entry DOI: 10.7270/Q2K937X4
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50353188
PNG
(CHEMBL1829512)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C23H23N7/c1-29-10-12-30(13-11-29)22-6-5-18(15-26-22)21-14-17(7-9-25-21)19-16-27-28-23(19)20-4-2-3-8-24-20/h2-9,14-16H,10-13H2,1H3,(H,27,28)
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n/an/a 32n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by lucifera...

Bioorg Med Chem Lett 21: 5642-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.120
BindingDB Entry DOI: 10.7270/Q2K937X4
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50353184
PNG
(CHEMBL1828640)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C17H14N6/c1-23-11-13(9-21-23)16-8-12(5-7-19-16)14-10-20-22-17(14)15-4-2-3-6-18-15/h2-11H,1H3,(H,20,22)
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n/an/a 68n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by lucifera...

Bioorg Med Chem Lett 21: 5642-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.120
BindingDB Entry DOI: 10.7270/Q2K937X4
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50353185
PNG
(CHEMBL1829504)
Show SMILES c1cnn(c1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C16H12N6/c1-2-6-17-14(4-1)16-13(11-19-21-16)12-5-8-18-15(10-12)22-9-3-7-20-22/h1-11H,(H,19,21)
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n/an/a 77n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by lucifera...

Bioorg Med Chem Lett 21: 5642-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.120
BindingDB Entry DOI: 10.7270/Q2K937X4
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50353186
PNG
(CHEMBL1829505)
Show SMILES c1cn(cn1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C16H12N6/c1-2-5-18-14(3-1)16-13(10-20-21-16)12-4-6-19-15(9-12)22-8-7-17-11-22/h1-11H,(H,20,21)
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n/an/a 88n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by lucifera...

Bioorg Med Chem Lett 21: 5642-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.120
BindingDB Entry DOI: 10.7270/Q2K937X4
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50184872
PNG
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)
Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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n/an/a 446n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by lucifera...

Bioorg Med Chem Lett 21: 5642-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.120
BindingDB Entry DOI: 10.7270/Q2K937X4
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50585028
PNG
(CHEMBL5078185)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF beta 1 (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual ...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00705
BindingDB Entry DOI: 10.7270/Q28S4TT7
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))		BDBM50525413
PNG
(CHEMBL4448117)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF beta 1 (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual ...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00705
BindingDB Entry DOI: 10.7270/Q28S4TT7
More data for this
Ligand-Target Pair