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BDBM50189781 CHEMBL3828009

SMILES: C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl

InChI Key: InChIKey=GKJCVYLDJWTWQU-CXLRFSCWSA-N

Data: 8 IC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50189781   
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


(Homo sapiens (Human))
BDBM50189781
PNG
(CHEMBL3828009)
Show SMILES C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |r|
Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
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PubMed
n/an/a 5.80n/an/an/an/an/an/a



East China University of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 59: 6690-708 (2016)


BindingDB Entry DOI: 10.7270/Q2474CT3
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50189781
PNG
(CHEMBL3828009)
Show SMILES C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |r|
Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



East China University of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR1 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 59: 6690-708 (2016)


BindingDB Entry DOI: 10.7270/Q2474CT3
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50189781
PNG
(CHEMBL3828009)
Show SMILES C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |r|
Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
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Article
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n/an/a 0.300n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 61: 9085-9104 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01843
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50189781
PNG
(CHEMBL3828009)
Show SMILES C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |r|
Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 (unknown origin) using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP incubated for 30 mins


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50189781
PNG
(CHEMBL3828009)
Show SMILES C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |r|
Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of FGFR4 (unknown origin) using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP incubated for 30 mins


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50189781
PNG
(CHEMBL3828009)
Show SMILES C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |r|
Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP incubated for 30 mins


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50189781
PNG
(CHEMBL3828009)
Show SMILES C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |r|
Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 (unknown origin) using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP incubated for 30 mins


J Med Chem 62: 2905-2915 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01531
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50189781
PNG
(CHEMBL3828009)
Show SMILES C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |r|
Show InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR4 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 61: 9085-9104 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)