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BDBM50407930 CHEMBL2111792

SMILES: C/C(/C=C/C=C(/C)\C=C1/CCCC(C)=C1C)=C\C(O)=O

InChI Key: InChIKey=RPQYCEYLWVFLBS-ZSGAMZCJSA-N

Data: 3 IC50  3 Kd

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 6 hits for monomerid = 50407930   
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
Retinoid X receptor alpha


(Mus musculus)
BDBM50407930
PNG
(CHEMBL2111792)
Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCC(C)=C1C)=C\C(O)=O |c:13|
Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7-,14-12+,17-11+
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n/an/a>2.00E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RXR alpha


J Med Chem 39: 3625-35 (1996)


Article DOI: 10.1021/jm9603126
BindingDB Entry DOI: 10.7270/Q2S46R1Z
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50407930
PNG
(CHEMBL2111792)
Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCC(C)=C1C)=C\C(O)=O |c:13|
Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7-,14-12+,17-11+
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n/an/an/a>200n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2


J Med Chem 39: 3625-35 (1996)


Article DOI: 10.1021/jm9603126
BindingDB Entry DOI: 10.7270/Q2S46R1Z
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein I


(Gallus gallus)
BDBM50407930
PNG
(CHEMBL2111792)
Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCC(C)=C1C)=C\C(O)=O |c:13|
Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7-,14-12+,17-11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to chick skin Cytoplasmic retinoic acid binding protein


J Med Chem 39: 3625-35 (1996)


Article DOI: 10.1021/jm9603126
BindingDB Entry DOI: 10.7270/Q2S46R1Z
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50407930
PNG
(CHEMBL2111792)
Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCC(C)=C1C)=C\C(O)=O |c:13|
Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7-,14-12+,17-11+
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n/an/an/a 120n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of binding to human Retinoic acid receptor RXR DEF domain


J Med Chem 39: 3625-35 (1996)


Article DOI: 10.1021/jm9603126
BindingDB Entry DOI: 10.7270/Q2S46R1Z
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Mus musculus)
BDBM50407930
PNG
(CHEMBL2111792)
Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCC(C)=C1C)=C\C(O)=O |c:13|
Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7-,14-12+,17-11+
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n/an/a>2.00E+3n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RAR alpha


J Med Chem 39: 3625-35 (1996)


Article DOI: 10.1021/jm9603126
BindingDB Entry DOI: 10.7270/Q2S46R1Z
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein I


(Mus musculus)
BDBM50407930
PNG
(CHEMBL2111792)
Show SMILES C/C(/C=C/C=C(/C)\C=C1/CCCC(C)=C1C)=C\C(O)=O |c:13|
Show InChI InChI=1S/C18H24O2/c1-13(7-5-8-14(2)12-18(19)20)11-17-10-6-9-15(3)16(17)4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,19,20)/b8-5+,13-7-,14-12+,17-11+
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Article
PubMed
n/an/an/a>200n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1


J Med Chem 39: 3625-35 (1996)


Article DOI: 10.1021/jm9603126
BindingDB Entry DOI: 10.7270/Q2S46R1Z
More data for this
Ligand-Target Pair