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3 similar compounds to monomer 50166979

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
(Institution)
LigandTarget
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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



School of Pharmacy, Fudan University, Shanghai 201203, China.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-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
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



School of Pharmacy, Fudan University, Shanghai 201203, China.

Curated by ChEMBL


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


Citation and Details
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

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University Medical Center, Nashville, TN 37232, USA.

Curated by ChEMBL


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


Citation and Details
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

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University Medical Center, Nashville, TN 37232, USA.

Curated by ChEMBL


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


Citation and Details
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

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University Medical Center, Nashville, TN 37232, USA.

Curated by ChEMBL


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


Citation and Details
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

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University Medical Center, Nashville, TN 37232, USA.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair