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BDBM50316781 4-(2-(3-Amino-9-(5-(4-methoxyphenyl)pentyl)-2,3,4,9-tetrahydro-1H-tetrahydrocarbazole-6-yloxy)ethyl)phenol hydrochloride::CHEMBL1094492

SMILES: COc1ccc(CCCCCn2c3CCC(N)Cc3c3cc(OCCc4ccc(O)cc4)ccc23)cc1

InChI Key: InChIKey=IGTPBMXPVDBCHU-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50316781   
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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50316781
PNG
(4-(2-(3-Amino-9-(5-(4-methoxyphenyl)pentyl)-2,3,4,...)
Show SMILES COc1ccc(CCCCCn2c3CCC(N)Cc3c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C32H38N2O3/c1-36-27-13-8-23(9-14-27)5-3-2-4-19-34-31-16-10-25(33)21-29(31)30-22-28(15-17-32(30)34)37-20-18-24-6-11-26(35)12-7-24/h6-9,11-15,17,22,25,35H,2-5,10,16,18-21,33H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50316781
PNG
(4-(2-(3-Amino-9-(5-(4-methoxyphenyl)pentyl)-2,3,4,...)
Show SMILES COc1ccc(CCCCCn2c3CCC(N)Cc3c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C32H38N2O3/c1-36-27-13-8-23(9-14-27)5-3-2-4-19-34-31-16-10-25(33)21-29(31)30-22-28(15-17-32(30)34)37-20-18-24-6-11-26(35)12-7-24/h6-9,11-15,17,22,25,35H,2-5,10,16,18-21,33H2,1H3
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.940n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50316781
PNG
(4-(2-(3-Amino-9-(5-(4-methoxyphenyl)pentyl)-2,3,4,...)
Show SMILES COc1ccc(CCCCCn2c3CCC(N)Cc3c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C32H38N2O3/c1-36-27-13-8-23(9-14-27)5-3-2-4-19-34-31-16-10-25(33)21-29(31)30-22-28(15-17-32(30)34)37-20-18-24-6-11-26(35)12-7-24/h6-9,11-15,17,22,25,35H,2-5,10,16,18-21,33H2,1H3
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UniChem

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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50316781
PNG
(4-(2-(3-Amino-9-(5-(4-methoxyphenyl)pentyl)-2,3,4,...)
Show SMILES COc1ccc(CCCCCn2c3CCC(N)Cc3c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C32H38N2O3/c1-36-27-13-8-23(9-14-27)5-3-2-4-19-34-31-16-10-25(33)21-29(31)30-22-28(15-17-32(30)34)37-20-18-24-6-11-26(35)12-7-24/h6-9,11-15,17,22,25,35H,2-5,10,16,18-21,33H2,1H3
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair