BindingDB logo
myBDB logout

BDBM8 (1R)-cyclohexane-1,2-diol::cis-1,2-cyclohexanediol::trans-1,2-cyclohexanediol

InChI string: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6?/m1/s1

SMILES: OC1CCCC[C@H]1O

InChI Key: InChIKey=PFURGBBHAOXLIO-LWOQYNTDSA-N

Data: 1 IC50  4 ITC

PDB links: 223 PDB IDs contain this monomer as substructures. 223 PDB IDs contain inhibitors having a similarity of 90% to 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 1 hit for monomerid = 8   
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
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM8
PNG
((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
Show SMILES OC1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem 19: 2517-28 (2011)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 8
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM8
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-1.650.997-2.631.206.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM4
JPEG
BDBM8
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-1.670.926-2.631.236.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM8
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.32-0.997-2.342.436.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)

BDBM11
JPEG
BDBM8
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.72-1.71-1.0526.9025



National Institute of Standards and Technology





J Phys Chem 98: 4098-4103 (1994)