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3 similar compounds to monomer 50230983

Compile data set for download or QSAR
Wt: 561.6
BDBM50230979
Wt: 914.7
BDBM50230984
Wt: 518.6
BDBM50230980

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50230979,50230984,50230980   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50230979
PNG
(CHEMBL4098962)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(Cn4cccc4CN4CCN(C)CC4)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C34H35N5O3/c1-37-17-19-38(20-18-37)23-28-9-6-16-39(28)22-24-10-13-27(14-11-24)35-32(25-7-4-3-5-8-25)31-29-15-12-26(34(41)42-2)21-30(29)36-33(31)40/h3-16,21,35H,17-20,22-23H2,1-2H3,(H,36,40)/b32-31-
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n/an/a 165n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged VEGFR2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated fo...


Bioorg Med Chem 25: 1778-1786 (2017)


Article DOI: 10.1016/j.bmc.2017.01.039
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50230980
PNG
(CHEMBL4091341)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)-n3cccc3CN3CCCC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C32H30N4O3/c1-39-32(38)23-11-16-27-28(20-23)34-31(37)29(27)30(22-8-3-2-4-9-22)33-24-12-14-25(15-13-24)36-19-7-10-26(36)21-35-17-5-6-18-35/h2-4,7-16,19-20,33H,5-6,17-18,21H2,1H3,(H,34,37)/b30-29-
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n/an/a 153n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged VEGFR2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated fo...


Bioorg Med Chem 25: 1778-1786 (2017)


Article DOI: 10.1016/j.bmc.2017.01.039
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Rattus norvegicus)
BDBM50230984
PNG
(CHEMBL4099832)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(CCCC)C(=O)N=C3N)cc2)n1
Show InChI InChI=1S/C28H38N20O2.2C2HF3O2/c1-3-5-7-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-9-11-14(12-10-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(8-6-4-2)18(50)38-22(48)34;2*3-2(4,5)1(6)7/h9-12,15-16H,3-8H2,1-2H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);2*(H,6,7)
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n/an/an/an/a 23n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay


Bioorg Med Chem 25: 1762-1769 (2017)


Article DOI: 10.1016/j.bmc.2017.01.026
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50230979
PNG
(CHEMBL4098962)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(Cn4cccc4CN4CCN(C)CC4)cc3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C34H35N5O3/c1-37-17-19-38(20-18-37)23-28-9-6-16-39(28)22-24-10-13-27(14-11-24)35-32(25-7-4-3-5-8-25)31-29-15-12-26(34(41)42-2)21-30(29)36-33(31)40/h3-16,21,35H,17-20,22-23H2,1-2H3,(H,36,40)/b32-31-
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n/an/a 68n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system preincubated...


Bioorg Med Chem 25: 1778-1786 (2017)


Article DOI: 10.1016/j.bmc.2017.01.039
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor


(Homo sapiens (Human))
BDBM50230984
PNG
(CHEMBL4099832)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(CCCC)C(=O)N=C3N)cc2)n1
Show InChI InChI=1S/C28H38N20O2.2C2HF3O2/c1-3-5-7-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-9-11-14(12-10-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(8-6-4-2)18(50)38-22(48)34;2*3-2(4,5)1(6)7/h9-12,15-16H,3-8H2,1-2H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);2*(H,6,7)
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n/an/an/an/a 2n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)


Article DOI: 10.1016/j.bmc.2017.01.026
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50230980
PNG
(CHEMBL4091341)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)-n3cccc3CN3CCCC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C32H30N4O3/c1-39-32(38)23-11-16-27-28(20-23)34-31(37)29(27)30(22-8-3-2-4-9-22)33-24-12-14-25(15-13-24)36-19-7-10-26(36)21-35-17-5-6-18-35/h2-4,7-16,19-20,33H,5-6,17-18,21H2,1H3,(H,34,37)/b30-29-
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n/an/a 27n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system preincubated...


Bioorg Med Chem 25: 1778-1786 (2017)


Article DOI: 10.1016/j.bmc.2017.01.039
More data for this
Ligand-Target Pair