BindingDB logo
myBDB logout

12 similar compounds to monomer 50093976

Compile data set for download or QSAR
Wt: 402.5
BDBM50068035
Wt: 416.5
BDBM50080993
Wt: 240.2
BDBM50093973
Wt: 402.5
BDBM50093974
Wt: 388.5
BDBM50093977
Wt: 406.5
BDBM50147582
Wt: 406.5
BDBM50147585
Wt: 406.5
BDBM50147586
Wt: 406.5
BDBM50147587
Wt: 374.4
BDBM50093975
Wt: 341.4
BDBM50147584
Wt: 457.4
BDBM50241552

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50068035,50080993,50093973,50093974,50093977,50147582,50147585,50147586,50147587,50093975,50147584,50241552   
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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50093975
PNG
(CHEMBL3585945)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccncc2)c2ccccc2)c(C)n1
Show InChI InChI=1/C22H22N4O2/c1-15-20(13-24-16(2)25-15)28-14-22(17-6-4-3-5-7-17)12-19(22)21(27)26-18-8-10-23-11-9-18/h3-11,13,19H,12,14H2,1-2H3,(H,23,26,27)/t19-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
163n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human OX2R by radioligand displacement binding assay


J Med Chem 58: 4648-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00217
BindingDB Entry DOI: 10.7270/Q2125VD7
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50093975
PNG
(CHEMBL3585945)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccncc2)c2ccccc2)c(C)n1
Show InChI InChI=1/C22H22N4O2/c1-15-20(13-24-16(2)25-15)28-14-22(17-6-4-3-5-7-17)12-19(22)21(27)26-18-8-10-23-11-9-18/h3-11,13,19H,12,14H2,1-2H3,(H,23,26,27)/t19-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human OX1R by radioligand displacement binding assay


J Med Chem 58: 4648-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00217
BindingDB Entry DOI: 10.7270/Q2125VD7
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50080993
PNG
((S)-5-Hydroxy-4-{(R)-1-hydroxy-2-[(1S,2S,5S,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@@](C)(CCCC(C)=C)CCC[C@]2(C)[C@@]1(C)C[C@@H](O)C1=CC(=O)O[C@@H]1O
Show InChI InChI=1S/C26H40O4/c1-17(2)9-7-12-24(4)13-8-14-25(5)21(24)11-10-18(3)26(25,6)16-20(27)19-15-22(28)30-23(19)29/h11,15,18,20,23,27,29H,1,7-10,12-14,16H2,2-6H3/t18-,20+,23-,24-,25-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Mitotix, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Cell division cycle 25B


Bioorg Med Chem Lett 9: 2537-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00431-x
BindingDB Entry DOI: 10.7270/Q2QN660F
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147582
PNG
(4-{(R)-2-[(3aR,4S)-1-((1R,2R)-1,5-Dimethyl-hexyl)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24+,25-/m1/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 860n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50147585
PNG
((R)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24-,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25B activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50147582
PNG
(4-{(R)-2-[(3aR,4S)-1-((1R,2R)-1,5-Dimethyl-hexyl)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.88E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25B activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50147586
PNG
((S)-4-{2-[(3R,7S)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25B activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147586
PNG
((S)-4-{2-[(3R,7S)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24+,25-/m1/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147585
PNG
((R)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24-,25-/m1/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50147587
PNG
((S)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24-,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25B activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147587
PNG
((S)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24-,25-/m1/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147584
PNG
(CHEMBL2022434)
Show SMILES COc1ccc2C(=CCCc2c1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H23NO4/c1-22-16-9-8-14-13(6-5-7-15(14)19(16)21)12-10-17(23-2)20(25-4)18(11-12)24-3/h6,8-11H,5,7,21H2,1-4H3
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50068035
PNG
((S)-5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2S,5R,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@H](CCC[C@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)O[C@@H]1O
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00527-8
BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50068035
PNG
((S)-5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2S,5R,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@H](CCC[C@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)O[C@@H]1O
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m0/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00527-8
BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50093974
PNG
(5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2R,5S,8aS)-1,2,5...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21+,23?,24-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00527-8
BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50093977
PNG
(4-{(S)-2-[(1S,2R,5S,8aS)-2,5-Dimethyl-5-(4-methyl-...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@H]1C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C24H36O4/c1-15(2)7-5-11-24(4)12-6-8-17-18(16(3)9-10-20(17)24)13-21(25)19-14-22(26)28-23(19)27/h10,14,16-18,21,23,25,27H,1,5-9,11-13H2,2-4H3/t16-,17+,18+,21+,23?,24-/m1/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00527-8
BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50093973
PNG
(5-Hydroxy-4-[1-hydroxy-2-(1-methyl-cyclohexyl)-eth...)
Show SMILES CC1(CC(O)C2=CC(=O)OC2O)CCCCC1
Show InChI InChI=1/C13H20O4/c1-13(5-3-2-4-6-13)8-10(14)9-7-11(15)17-12(9)16/h7,10,12,14,16H,2-6,8H2,1H3
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00527-8
BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50093977
PNG
(4-{(S)-2-[(1S,2R,5S,8aS)-2,5-Dimethyl-5-(4-methyl-...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@H]1C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C24H36O4/c1-15(2)7-5-11-24(4)12-6-8-17-18(16(3)9-10-20(17)24)13-21(25)19-14-22(26)28-23(19)27/h10,14,16-18,21,23,25,27H,1,5-9,11-13H2,2-4H3/t16-,17+,18+,21+,23?,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00527-8
BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50093974
PNG
(5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2R,5S,8aS)-1,2,5...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21+,23?,24-,25+/m1/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00527-8
BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50093973
PNG
(5-Hydroxy-4-[1-hydroxy-2-(1-methyl-cyclohexyl)-eth...)
Show SMILES CC1(CC(O)C2=CC(=O)OC2O)CCCCC1
Show InChI InChI=1/C13H20O4/c1-13(5-3-2-4-6-13)8-10(14)9-7-11(15)17-12(9)16/h7,10,12,14,16H,2-6,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


Article DOI: 10.1016/s0960-894x(00)00527-8
BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
BDBM50080993
PNG
((S)-5-Hydroxy-4-{(R)-1-hydroxy-2-[(1S,2S,5S,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@@](C)(CCCC(C)=C)CCC[C@]2(C)[C@@]1(C)C[C@@H](O)C1=CC(=O)O[C@@H]1O
Show InChI InChI=1S/C26H40O4/c1-17(2)9-7-12-24(4)13-8-14-25(5)21(24)11-10-18(3)26(25,6)16-20(27)19-15-22(28)30-23(19)29/h11,15,18,20,23,27,29H,1,7-10,12-14,16H2,2-6H3/t18-,20+,23-,24-,25-,26-/m0/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Mitotix, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Cell division cycle 25A


Bioorg Med Chem Lett 9: 2537-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00431-x
BindingDB Entry DOI: 10.7270/Q2QN660F
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25A


(Homo sapiens (Human))
BDBM50080993
PNG
((S)-5-Hydroxy-4-{(R)-1-hydroxy-2-[(1S,2S,5S,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@@](C)(CCCC(C)=C)CCC[C@]2(C)[C@@]1(C)C[C@@H](O)C1=CC(=O)O[C@@H]1O
Show InChI InChI=1S/C26H40O4/c1-17(2)9-7-12-24(4)13-8-14-25(5)21(24)11-10-18(3)26(25,6)16-20(27)19-15-22(28)30-23(19)29/h11,15,18,20,23,27,29H,1,7-10,12-14,16H2,2-6H3/t18-,20+,23-,24-,25-,26-/m0/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Mitotix, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Cell division cycle 25A


Bioorg Med Chem Lett 9: 2537-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00431-x
BindingDB Entry DOI: 10.7270/Q2QN660F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50241552
PNG
(CHEMBL4085101)
Show SMILES O\N=c1/cc(oc2ccc(OCCN3CCC(F)(F)CC3)cc12)-c1cc2sccc2cn1
Show InChI InChI=1S/C23H21F2N3O3S/c24-23(25)4-6-28(7-5-23)8-9-30-16-1-2-20-17(11-16)18(27-29)12-21(31-20)19-13-22-15(14-26-19)3-10-32-22/h1-3,10-14,29H,4-9H2/b27-18+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 90n/an/an/an/a



Prexton Therapeutics

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human mGlu4 receptor expressed in HEK293 cells co-expressing Gi/Gq assessed as increase in glutamate-in...


J Med Chem 60: 8515-8537 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00991
BindingDB Entry DOI: 10.7270/Q2GF0WNQ
More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50080993
PNG
((S)-5-Hydroxy-4-{(R)-1-hydroxy-2-[(1S,2S,5S,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@@](C)(CCCC(C)=C)CCC[C@]2(C)[C@@]1(C)C[C@@H](O)C1=CC(=O)O[C@@H]1O
Show InChI InChI=1S/C26H40O4/c1-17(2)9-7-12-24(4)13-8-14-25(5)21(24)11-10-18(3)26(25,6)16-20(27)19-15-22(28)30-23(19)29/h11,15,18,20,23,27,29H,1,7-10,12-14,16H2,2-6H3/t18-,20+,23-,24-,25-,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Mitotix, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Cell division cycle 25 degree C


Bioorg Med Chem Lett 9: 2537-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00431-x
BindingDB Entry DOI: 10.7270/Q2QN660F
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50080993
PNG
((S)-5-Hydroxy-4-{(R)-1-hydroxy-2-[(1S,2S,5S,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@@](C)(CCCC(C)=C)CCC[C@]2(C)[C@@]1(C)C[C@@H](O)C1=CC(=O)O[C@@H]1O
Show InChI InChI=1S/C26H40O4/c1-17(2)9-7-12-24(4)13-8-14-25(5)21(24)11-10-18(3)26(25,6)16-20(27)19-15-22(28)30-23(19)29/h11,15,18,20,23,27,29H,1,7-10,12-14,16H2,2-6H3/t18-,20+,23-,24-,25-,26-/m0/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Mitotix, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Cell division cycle 25A


Bioorg Med Chem Lett 9: 2537-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00431-x
BindingDB Entry DOI: 10.7270/Q2QN660F
More data for this
Ligand-Target Pair