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BDBM50263017 CHEMBL477768::hematoxylone

SMILES: Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O

InChI Key: InChIKey=JUJOJJFIOBKCID-MRXNPFEDSA-N

Data: 5 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 5 hits for monomerid = 50263017   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O |r|
Show InChI InChI=1S/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O |r|
Show InChI InChI=1S/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O |r|
Show InChI InChI=1S/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of cKit (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O |r|
Show InChI InChI=1S/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50263017
PNG
(CHEMBL477768 | hematoxylone)
Show SMILES Oc1ccc(C[C@@]2(O)COc3c(O)c(O)ccc3C2=O)cc1O |r|
Show InChI InChI=1S/C16H14O7/c17-10-3-1-8(5-12(10)19)6-16(22)7-23-14-9(15(16)21)2-4-11(18)13(14)20/h1-5,17-20,22H,6-7H2/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) by ELISA


J Med Chem 51: 4419-29 (2008)


Article DOI: 10.1021/jm701501x
BindingDB Entry DOI: 10.7270/Q2N879MQ
More data for this
Ligand-Target Pair