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BDBM50279579 CHEMBL4171244

SMILES: COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1

InChI Key: InChIKey=GJWFUGSRILNJBR-XTUDTMOTSA-N

Data: 5 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50279579   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50279579
PNG
(CHEMBL4171244)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-26-13-15-29(39)38(26)25-11-9-24(10-12-25)34-31(22-6-4-3-5-7-22)30-27-14-8-23(33(41)42-2)20-28(27)35-32(30)40/h3-12,14,20,26,34H,13,15-19,21H2,1-2H3,(H,35,40)/b31-30-/t26-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))
BDBM50279579
PNG
(CHEMBL4171244)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-26-13-15-29(39)38(26)25-11-9-24(10-12-25)34-31(22-6-4-3-5-7-22)30-27-14-8-23(33(41)42-2)20-28(27)35-32(30)40/h3-12,14,20,26,34H,13,15-19,21H2,1-2H3,(H,35,40)/b31-30-/t26-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR in mouse NIH/3T3 cells assessed as reduction in recombinant human PDGF-BB-induced cell proliferation after 42 hrs by cell titer 9...


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50279579
PNG
(CHEMBL4171244)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-26-13-15-29(39)38(26)25-11-9-24(10-12-25)34-31(22-6-4-3-5-7-22)30-27-14-8-23(33(41)42-2)20-28(27)35-32(30)40/h3-12,14,20,26,34H,13,15-19,21H2,1-2H3,(H,35,40)/b31-30-/t26-/m0/s1
PDB
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UniChem

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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR1 (unknown origin) by off-chip mobility shift assay


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50279579
PNG
(CHEMBL4171244)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-26-13-15-29(39)38(26)25-11-9-24(10-12-25)34-31(22-6-4-3-5-7-22)30-27-14-8-23(33(41)42-2)20-28(27)35-32(30)40/h3-12,14,20,26,34H,13,15-19,21H2,1-2H3,(H,35,40)/b31-30-/t26-/m0/s1
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UniChem

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Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 (unknown origin) by off-chip mobility shift assay


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50279579
PNG
(CHEMBL4171244)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|
Show InChI InChI=1S/C33H35N5O4/c1-36-16-18-37(19-17-36)21-26-13-15-29(39)38(26)25-11-9-24(10-12-25)34-31(22-6-4-3-5-7-22)30-27-14-8-23(33(41)42-2)20-28(27)35-32(30)40/h3-12,14,20,26,34H,13,15-19,21H2,1-2H3,(H,35,40)/b31-30-/t26-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
H1-antihistamine activity on guinea pig ileum


ACS Med Chem Lett 8: 1142-1147 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00164
BindingDB Entry DOI: 10.7270/Q2TM7DND
More data for this
Ligand-Target Pair