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Compile Data Set for Download or QSAR

Found 7 hits of kd for UniProtKB: P36897   
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
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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PDB
PubMed
n/an/an/a 5n/an/an/an/an/a



Biogen Inc

Curated by ChEMBL


Assay Description
Dissociation constant for TGF-beta receptor type I

Bioorg Med Chem Lett 13: 4355-9 (2003)


BindingDB Entry DOI: 10.7270/Q29886FH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50533235
PNG
(CHEMBL4576833)
Show SMILES Fc1ccccc1-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Show InChI InChI=1S/C18H13FN4/c19-15-4-2-1-3-13(15)16-11-17(14-7-10-21-18(14)23-16)22-12-5-8-20-9-6-12/h1-11H,(H2,20,21,22,23)
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n/an/an/a 10n/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay

Bioorg Med Chem Lett 26: 4334-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50533235
PNG
(CHEMBL4576833)
Show SMILES Fc1ccccc1-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Show InChI InChI=1S/C18H13FN4/c19-15-4-2-1-3-13(15)16-11-17(14-7-10-21-18(14)23-16)22-12-5-8-20-9-6-12/h1-11H,(H2,20,21,22,23)
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n/an/an/a 10n/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay

Bioorg Med Chem Lett 26: 4334-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.030
BindingDB Entry DOI: 10.7270/Q2NV9NQT
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50613306
PNG
(CHEMBL1235645)		PDB
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n/an/an/a 324n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50311017
PNG
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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US Patent
n/an/a 205 670n/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...

US Patent US9469613 (2016)


BindingDB Entry DOI: 10.7270/Q2J1024J
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50463507
PNG
(CHEMBL4247751)
Show SMILES Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12
Show InChI InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human ALK5 by KdELECT assay

J Med Chem 61: 7261-7272 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00782
BindingDB Entry DOI: 10.7270/Q2K64MRS
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50463510
PNG
(CHEMBL4244382)
Show SMILES O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2
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n/an/an/a 1.90E+4n/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human ALK5 by KdELECT assay

J Med Chem 61: 7261-7272 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00782
BindingDB Entry DOI: 10.7270/Q2K64MRS
More data for this
Ligand-Target Pair