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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Cellular retinoic acid-binding protein II' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 II


(Mus musculus)
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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PubMed
n/an/an/a 2n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50407395
PNG
(CHEMBL2111557)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C/C=C/C=C/C(=C/C)/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-6-19-14-11-15-21(22(19)17(3)4)16-18(5)12-9-8-10-13-20(7-2)23(24)25/h7-10,12-13,16-17H,6,11,14-15H2,1-5H3,(H,24,25)/b9-8+,13-10+,18-12-,20-7-,21-16+
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n/an/an/a>200n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50407395
PNG
(CHEMBL2111557)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C/C=C/C=C/C(=C/C)/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-6-19-14-11-15-21(22(19)17(3)4)16-18(5)12-9-8-10-13-20(7-2)23(24)25/h7-10,12-13,16-17H,6,11,14-15H2,1-5H3,(H,24,25)/b9-8+,13-10+,18-12-,20-7-,21-16+
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n/an/an/a>200n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
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/an/a>200n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50031458
PNG
((2Z,5E)-7-Methyl-3-[(E)-2-(2,6,6-trimethyl-cyclohe...)
Show SMILES CCC(C)\C=C\C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C(O)=O
Show InChI InChI=1S/C21H32O2/c1-6-16(2)9-7-11-18(15-20(22)23)12-13-19-17(3)10-8-14-21(19,4)5/h7,9,12-13,15-16H,6,8,10-11,14H2,1-5H3,(H,22,23)/b9-7+,13-12+,18-15-
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n/an/an/a 190n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50031457
PNG
((2Z,5E)-3-{(E)-3-[3-Ethyl-2-isopropyl-cyclohex-2-e...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C(\C\C(C)=C\C)=C/C(O)=O
Show InChI InChI=1S/C23H34O2/c1-7-17(5)12-19(15-22(24)25)13-18(6)14-21-11-9-10-20(8-2)23(21)16(3)4/h7,13-16H,8-12H2,1-6H3,(H,24,25)/b17-7+,18-13+,19-15-,21-14+
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n/an/an/a>200n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
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/an/a 14n/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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50031460
PNG
((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+
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n/an/an/a 1.40n/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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50053094
PNG
((2E,4E,6E)-8-[2,3-Dimethyl-cyclohex-2-en-(E)-ylide...)
Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O
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 13n/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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
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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n/an/an/a 2n/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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50053093
PNG
((2E,4E,6E)-8-Cyclohex-2-en-(E)-ylidene-3,7-dimethy...)
Show SMILES C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O
Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11-
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n/an/an/a 13n/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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50407929
PNG
(CHEMBL2111791)
Show SMILES C\C(\C=C\C=C(/C)\C=C1\CCCC=C1)=C/C(O)=O
Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11+
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n/an/an/a 10n/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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50407929
PNG
(CHEMBL2111791)
Show SMILES C\C(\C=C\C=C(/C)\C=C1\CCCC=C1)=C/C(O)=O
Show InChI InChI=1S/C16H20O2/c1-13(11-15-9-4-3-5-10-15)7-6-8-14(2)12-16(17)18/h4,6-9,11-12H,3,5,10H2,1-2H3,(H,17,18)/b8-6+,13-7+,14-12+,15-11+
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n/an/an/a 3n/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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
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/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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
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/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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50407931
PNG
(CHEMBL2114968)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9-,17-14+,19-13+
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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


Citation and Details
More data for this
Ligand-Target Pair
Cellular retinoic acid-binding protein II


(Mus musculus)
BDBM50031460
PNG
((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...)
Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+
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n/an/an/a 1.40n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2


J Med Chem 38: 2302-10 (1995)

More data for this
Ligand-Target Pair