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3 similar compounds to monomer 50119621

Compile data set for download or QSAR
Wt: 508.4
BDBM50119627
Wt: 315.2
BDBM50154249
Wt: 451.9
BDBM50154260

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50119627,50154249,50154260   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50119627
PNG
(CHEMBL3618441)
Show SMILES COc1cccc(CN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)c1
Show InChI InChI=1/C26H26BrN3O3/c1-16(28-15-17-4-3-5-22(12-17)33-2)29-21-11-8-19-13-24(31)25(23(19)14-21)30-26(32)18-6-9-20(27)10-7-18/h3-12,14,24-25,31H,13,15H2,1-2H3,(H,28,29)(H,30,32)/t24-,25-/s2
UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a 198n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Bioorg Med Chem Lett 25: 4158-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.011
BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50154249
PNG
(CHEMBL3775879)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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UniChem

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Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154260
PNG
(CHEMBL3775536)
Show SMILES Clc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCCCC5)c4cc23)c1
Show InChI InChI=1S/C24H26ClN5O2/c25-17-6-4-7-18(12-17)28-24-19-13-21-22(14-20(19)26-16-27-24)32-15-23(31)30(21)11-5-10-29-8-2-1-3-9-29/h4,6-7,12-14,16H,1-3,5,8-11,15H2,(H,26,27,28)
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PubMed
n/an/a 116n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase ...


Bioorg Med Chem Lett 26: 1571-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.009
BindingDB Entry DOI: 10.7270/Q20G3N1W
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens (Human))
BDBM50154249
PNG
(CHEMBL3775879)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 490n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50154249
PNG
(CHEMBL3775879)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 360n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50154249
PNG
(CHEMBL3775879)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 72n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair