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3 similar compounds to monomer 50166979

Compile data set for download or QSAR
Wt: 588.6
BDBM50166948
Wt: 408.8
BDBM50166971
Wt: 392.8
BDBM50166974

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50166948,50166971,50166974   
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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50166948
PNG
(CHEMBL3799255)
Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H27F3N6O4S/c1-4-23(37)32-17-6-5-7-19(14-17)40-24-22(41-3)16-31-26(34-24)33-20-9-8-18(15-21(20)39-2)35-10-12-36(13-11-35)25(38)27(28,29)30/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,37)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 248n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA


Bioorg Med Chem 24: 2673-80 (2016)


Article DOI: 10.1016/j.bmc.2016.04.032
BindingDB Entry DOI: 10.7270/Q26W9D0T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166948
PNG
(CHEMBL3799255)
Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H27F3N6O4S/c1-4-23(37)32-17-6-5-7-19(14-17)40-24-22(41-3)16-31-26(34-24)33-20-9-8-18(15-21(20)39-2)35-10-12-36(13-11-35)25(38)27(28,29)30/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,37)(H,31,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA


Bioorg Med Chem 24: 2673-80 (2016)


Article DOI: 10.1016/j.bmc.2016.04.032
BindingDB Entry DOI: 10.7270/Q26W9D0T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50166971
PNG
(CHEMBL3797445)
Show SMILES COc1ccc2CN(C(=O)c2c1)c1ccc(NC(=O)c2ncccc2N)cc1Cl
Show InChI InChI=1S/C21H17ClN4O3/c1-29-14-6-4-12-11-26(21(28)15(12)10-14)18-7-5-13(9-16(18)22)25-20(27)19-17(23)3-2-8-24-19/h2-10H,11,23H2,1H3,(H,25,27)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.319n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 2915-2919 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.041
BindingDB Entry DOI: 10.7270/Q2348N9V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50166974
PNG
(CHEMBL3797463)
Show SMILES Nc1cccnc1C(=O)Nc1ccc(N2CCc3ccccc3C2=O)c(Cl)c1
Show InChI InChI=1S/C21H17ClN4O2/c22-16-12-14(25-20(27)19-17(23)6-3-10-24-19)7-8-18(16)26-11-9-13-4-1-2-5-15(13)21(26)28/h1-8,10,12H,9,11,23H2,(H,25,27)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 912n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 2915-2919 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.041
BindingDB Entry DOI: 10.7270/Q2348N9V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50166971
PNG
(CHEMBL3797445)
Show SMILES COc1ccc2CN(C(=O)c2c1)c1ccc(NC(=O)c2ncccc2N)cc1Cl
Show InChI InChI=1S/C21H17ClN4O3/c1-29-14-6-4-12-11-26(21(28)15(12)10-14)18-7-5-13(9-16(18)22)25-20(27)19-17(23)3-2-8-24-19/h2-10H,11,23H2,1H3,(H,25,27)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 316n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 2915-2919 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.041
BindingDB Entry DOI: 10.7270/Q2348N9V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50166974
PNG
(CHEMBL3797463)
Show SMILES Nc1cccnc1C(=O)Nc1ccc(N2CCc3ccccc3C2=O)c(Cl)c1
Show InChI InChI=1S/C21H17ClN4O2/c22-16-12-14(25-20(27)19-17(23)6-3-10-24-19)7-8-18(16)26-11-9-13-4-1-2-5-15(13)21(26)28/h1-8,10,12H,9,11,23H2,(H,25,27)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.921n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 2915-2919 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.041
BindingDB Entry DOI: 10.7270/Q2348N9V
More data for this
Ligand-Target Pair