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Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'hong' and Initial = 'cc'   
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
5'-AMP-activated protein kinase subunit beta-1/5'-AMP-activated protein kinase subunit gamma-1/Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


ACS Chem Biol 5: 245-53 (2010)


Article DOI: 10.1021/cb9002865
BindingDB Entry DOI: 10.7270/Q2JW8C78
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560457
PNG
(CHEMBL4790396)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1csc2nccnc12
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434751
PNG
(CHEMBL2385579)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22)
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n/an/a 1.40n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.29n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


ACS Chem Biol 5: 245-53 (2010)


Article DOI: 10.1021/cb9002865
BindingDB Entry DOI: 10.7270/Q2JW8C78
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560477
PNG
(CHEMBL4742906)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560478
PNG
(CHEMBL4790557)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)ccc2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560479
PNG
(CHEMBL4778971)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560480
PNG
(CHEMBL4779300)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2ccccc2n1
PDB

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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560481
PNG
(CHEMBL4746124)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)ccc2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50560477
PNG
(CHEMBL4742906)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50560477
PNG
(CHEMBL4742906)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK1 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50560466
PNG
(CHEMBL4740381)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50560467
PNG
(CHEMBL4788859)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50560468
PNG
(CHEMBL4786529)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)cc(F)c2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50560479
PNG
(CHEMBL4778971)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1
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n/an/a<5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560482
PNG
(CHEMBL4753476)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)cc(F)c2n1
PDB

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n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6.14n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


ACS Chem Biol 5: 245-53 (2010)


Article DOI: 10.1021/cb9002865
BindingDB Entry DOI: 10.7270/Q2JW8C78
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560472
PNG
(CHEMBL4741939)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccccc12
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50262016
PNG
(4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-12-24-22-20(13-25-26(22)14-16)18-10-11-23-21-5-3-2-4-19(18)21/h2-14H,1H3
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n/an/a 6.80n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560466
PNG
(CHEMBL4740381)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560458
PNG
(CHEMBL4788637)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cccc2ncsc12
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A


(Homo sapiens (Human))
BDBM50434751
PNG
(CHEMBL2385579)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560467
PNG
(CHEMBL4788859)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 13n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560460
PNG
(CHEMBL4754026)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccsc12
PDB

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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM102618
PNG
(LDN-212854)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 14n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560471
PNG
(CHEMBL4757577)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12 |r|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560461
PNG
(CHEMBL4795028)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccc(F)cc12
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434750
PNG
(CHEMBL2385596)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H24N6/c1-30-12-14-31(15-13-30)21-8-6-19(7-9-21)20-16-28-26-24(17-29-32(26)18-20)22-10-11-27-25-5-3-2-4-23(22)25/h2-11,16-18H,12-15H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560473
PNG
(CHEMBL4797386)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(nc2)N2CCN(CC2)C2CC2)c2ccccc2n1
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-2


(Homo sapiens (Human))
BDBM50434751
PNG
(CHEMBL2385579)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22)
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n/an/a 16n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of BMPR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434748
PNG
(CHEMBL2385600)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C16H13N5O/c1-22-14-4-2-11(3-5-14)13-6-17-16-15(9-20-21(16)10-13)12-7-18-19-8-12/h2-10H,1H3,(H,18,19)
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n/an/a 16n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560464
PNG
(CHEMBL4759531)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560465
PNG
(CHEMBL4792932)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2c(F)cc(F)cc12
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM50560466
PNG
(CHEMBL4740381)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK6 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560455
PNG
(CHEMBL4783586)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccccc12
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-2


(Homo sapiens (Human))
BDBM50434748
PNG
(CHEMBL2385600)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
Show InChI InChI=1S/C16H13N5O/c1-22-14-4-2-11(3-5-14)13-6-17-16-15(9-20-21(16)10-13)12-7-18-19-8-12/h2-10H,1H3,(H,18,19)
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n/an/a 24n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of BMPR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Bone morphogenetic protein 4


(Mus musculus)
BDBM50434750
PNG
(CHEMBL2385596)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H24N6/c1-30-12-14-31(15-13-30)21-8-6-19(7-9-21)20-16-28-26-24(17-29-32(26)18-20)22-10-11-27-25-5-3-2-4-23(22)25/h2-11,16-18H,12-15H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of BMP4 in mouse C2C12BRA cells after 14 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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n/an/a 25.1n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


ACS Chem Biol 5: 245-53 (2010)


Article DOI: 10.1021/cb9002865
BindingDB Entry DOI: 10.7270/Q2JW8C78
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50262685
PNG
(6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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n/an/a 25.1n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM102618
PNG
(LDN-212854)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 26n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-2


(Homo sapiens (Human))
BDBM50434752
PNG
(CHEMBL2385582)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H21N5O/c1-2-4-24-22(3-1)21(9-10-26-24)23-16-28-30-17-19(15-27-25(23)30)18-5-7-20(8-6-18)29-11-13-31-14-12-29/h1-10,15-17H,11-14H2
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n/an/a 26n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TGFBR2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM36356
PNG
(DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3
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n/an/a 26.7n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold se...


US Patent US9040694 (2015)


BindingDB Entry DOI: 10.7270/Q2X065SN
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM36356
PNG
(DMH3 | N,N-dimethyl-3-(4- (3-(quinolin-4-yl)pyrazo...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H25N5O/c1-30(2)14-5-15-32-21-10-8-19(9-11-21)20-16-28-26-24(17-29-31(26)18-20)22-12-13-27-25-7-4-3-6-23(22)25/h3-4,6-13,16-18H,5,14-15H2,1-2H3
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n/an/a 26.7n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human...


ACS Chem Biol 5: 245-53 (2010)


Article DOI: 10.1021/cb9002865
BindingDB Entry DOI: 10.7270/Q2JW8C78
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM50262016
PNG
(4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-12-24-22-20(13-25-26(22)14-16)18-10-11-23-21-5-3-2-4-19(18)21/h2-14H,1H3
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM36354
PNG
(4-(6-(4-isopropoxyphenyl)pyrazolo[1,5-a]pyrimidin-...)
Show SMILES CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK1 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B


(Homo sapiens (Human))
BDBM50560467
PNG
(CHEMBL4788859)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK6 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50560468
PNG
(CHEMBL4786529)
Show SMILES Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)cc(F)c2n1
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127418
BindingDB Entry DOI: 10.7270/Q2WW7NDJ
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50261979
PNG
(5-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3
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Article
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n/an/a 32n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50262016
PNG
(4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C22H16N4O/c1-27-17-8-6-15(7-9-17)16-12-24-22-20(13-25-26(22)14-16)18-10-11-23-21-5-3-2-4-19(18)21/h2-14H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK2 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
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