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PubMed code 7799400

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cellular retinoic acid-binding protein I


(Gallus gallus)
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin


J Med Chem 37: 4499-507 (1995)


Article DOI: 10.1021/jm00052a009
BindingDB Entry DOI: 10.7270/Q2H41QFJ
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein I


(Gallus gallus)
BDBM50035477
PNG
((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...)
Show SMILES CC(C)C1=C(C)CCC\C1=C/C(/C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-14(2)20-17(5)10-7-11-18(20)12-15(3)8-6-9-16(4)13-19(21)22/h6,8-9,12-14H,7,10-11H2,1-5H3,(H,21,22)/b9-6+,15-8+,16-13+,18-12+
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n/an/a 470n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin


J Med Chem 37: 4499-507 (1995)


Article DOI: 10.1021/jm00052a009
BindingDB Entry DOI: 10.7270/Q2H41QFJ
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein I


(Gallus gallus)
BDBM50031459
PNG
((2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcycloh...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-
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n/an/a 900n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin


J Med Chem 37: 4499-507 (1995)


Article DOI: 10.1021/jm00052a009
BindingDB Entry DOI: 10.7270/Q2H41QFJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cellular retinoic acid-binding protein I


(Gallus gallus)
BDBM50407270
PNG
(CHEMBL2111790)
Show SMILES CC(C)C1=C(C)CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C20H28O2/c1-14(2)20-17(5)10-7-11-18(20)12-15(3)8-6-9-16(4)13-19(21)22/h6,8-9,12-14H,7,10-11H2,1-5H3,(H,21,22)/b9-6+,15-8-,16-13+,18-12+
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin


J Med Chem 37: 4499-507 (1995)


Article DOI: 10.1021/jm00052a009
BindingDB Entry DOI: 10.7270/Q2H41QFJ
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein I


(Gallus gallus)
BDBM50407270
PNG
(CHEMBL2111790)
Show SMILES CC(C)C1=C(C)CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C20H28O2/c1-14(2)20-17(5)10-7-11-18(20)12-15(3)8-6-9-16(4)13-19(21)22/h6,8-9,12-14H,7,10-11H2,1-5H3,(H,21,22)/b9-6+,15-8-,16-13+,18-12+
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin


J Med Chem 37: 4499-507 (1995)


Article DOI: 10.1021/jm00052a009
BindingDB Entry DOI: 10.7270/Q2H41QFJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%