BindingDB logo
myBDB logout

10 similar compounds to monomer 50093787

Compile data set for download or QSAR
Wt: 314.4
BDBM50086853
Wt: 314.4
BDBM50086855
Purchase
Wt: 377.5
BDBM50093797
Wt: 352.5
BDBM50207771
Purchase
Wt: 424.4
BDBM50093788
Wt: 422.4
BDBM50093795
Wt: 398.4
BDBM50093786
Wt: 428.4
BDBM50093790
Wt: 410.4
BDBM50093792
Wt: 410.4
BDBM50093794

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50086853,50086855,50093797,50207771,50093788,50093795,50093786,50093790,50093792,50093794   
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
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
KEGG

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
KEGG

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50093788
PNG
(CHEMBL3585957)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1
Show InChI InChI=1/C23H22F2N4O2/c1-13-7-21(27-10-19(13)25)29-22(30)18-9-23(18,16-5-4-6-17(24)8-16)12-31-20-11-26-15(3)28-14(20)2/h4-8,10-11,18H,9,12H2,1-3H3,(H,27,29,30)/t18-,23+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50093795
PNG
(CHEMBL3585952)
Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F
Show InChI InChI=1/C23H23FN4O3/c1-14-20(12-25-15(2)27-14)31-13-23(16-7-5-4-6-8-16)10-17(23)22(29)28-21-9-19(30-3)18(24)11-26-21/h4-9,11-12,17H,10,13H2,1-3H3,(H,26,28,29)/t17-,23+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50093788
PNG
(CHEMBL3585957)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1
Show InChI InChI=1/C23H22F2N4O2/c1-13-7-21(27-10-19(13)25)29-22(30)18-9-23(18,16-5-4-6-17(24)8-16)12-31-20-11-26-15(3)28-14(20)2/h4-8,10-11,18H,9,12H2,1-3H3,(H,27,29,30)/t18-,23+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/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 2


(Homo sapiens (Human))
BDBM50093790
PNG
(CHEMBL3585956)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)c(F)c2)c(C)n1
Show InChI InChI=1/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-3-5-17(24)18(25)7-14)8-16(22)21(30)29-20-6-4-15(23)9-27-20/h3-7,9-10,16H,8,11H2,1-2H3,(H,27,29,30)/t16-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50093797
PNG
(Adamantane-1-carboxylic acid {1-[2-(4-cyano-phenyl...)
Show SMILES O=C(NC1CCN(CCc2ccc(cc2)C#N)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H31N3O/c25-15-18-3-1-17(2-4-18)5-7-27-8-6-22(16-27)26-23(28)24-12-19-9-20(13-24)11-21(10-19)14-24/h1-4,19-22H,5-14,16H2,(H,26,28)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50093795
PNG
(CHEMBL3585952)
Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F
Show InChI InChI=1/C23H23FN4O3/c1-14-20(12-25-15(2)27-14)31-13-23(16-7-5-4-6-8-16)10-17(23)22(29)28-21-9-19(30-3)18(24)11-26-21/h4-9,11-12,17H,10,13H2,1-3H3,(H,26,28,29)/t17-,23+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/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 2


(Homo sapiens (Human))
BDBM50093792
PNG
(CHEMBL3585954)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)cc2)c(C)n1
Show InChI InChI=1/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-3-5-16(23)6-4-15)9-18(22)21(29)28-20-8-7-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/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))
BDBM50093790
PNG
(CHEMBL3585956)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)c(F)c2)c(C)n1
Show InChI InChI=1/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-3-5-17(24)18(25)7-14)8-16(22)21(30)29-20-6-4-15(23)9-27-20/h3-7,9-10,16H,8,11H2,1-2H3,(H,27,29,30)/t16-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
14n/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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50093794
PNG
(CHEMBL3585953)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2F)c(C)n1
Show InChI InChI=1/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(16-5-3-4-6-18(16)24)9-17(22)21(29)28-20-8-7-15(23)10-26-20/h3-8,10-11,17H,9,12H2,1-2H3,(H,26,28,29)/t17-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/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))
BDBM50093792
PNG
(CHEMBL3585954)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)cc2)c(C)n1
Show InChI InChI=1/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-3-5-16(23)6-4-15)9-18(22)21(29)28-20-8-7-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50093794
PNG
(CHEMBL3585953)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2F)c(C)n1
Show InChI InChI=1/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(16-5-3-4-6-18(16)24)9-17(22)21(29)28-20-8-7-15(23)10-26-20/h3-8,10-11,17H,9,12H2,1-2H3,(H,26,28,29)/t17-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
81n/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
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50093797
PNG
(Adamantane-1-carboxylic acid {1-[2-(4-cyano-phenyl...)
Show SMILES O=C(NC1CCN(CCc2ccc(cc2)C#N)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H31N3O/c25-15-18-3-1-17(2-4-18)5-7-27-8-6-22(16-27)26-23(28)24-12-19-9-20(13-24)11-21(10-19)14-24/h1-4,19-22H,5-14,16H2,(H,26,28)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086853
PNG
(CHEMBL82652 | Cyclohexanecarboxylic acid ((R)-1-ph...)
Show SMILES O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m1/s1
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50086853
PNG
(CHEMBL82652 | Cyclohexanecarboxylic acid ((R)-1-ph...)
Show SMILES O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m1/s1
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar rats by displacement of [3H]ketanserin


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50093786
PNG
(CHEMBL3585934)
Show SMILES Cc1cc(OCC2(CC2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc(C)n1
Show InChI InChI=1/C24H22N4O2/c1-16-10-20(11-17(2)27-16)30-15-24(19-6-4-3-5-7-19)12-21(24)23(29)28-22-9-8-18(13-25)14-26-22/h3-11,14,21H,12,15H2,1-2H3,(H,26,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+3n/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))
BDBM50093786
PNG
(CHEMBL3585934)
Show SMILES Cc1cc(OCC2(CC2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc(C)n1
Show InChI InChI=1/C24H22N4O2/c1-16-10-20(11-17(2)27-16)30-15-24(19-6-4-3-5-7-19)12-21(24)23(29)28-22-9-8-18(13-25)14-26-22/h3-11,14,21H,12,15H2,1-2H3,(H,26,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50207771
PNG
(CHEMBL245708 | adamantan-1-yl-(4-phenethyl-piperaz...)
Show SMILES O=C(N1CCN(CCc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32N2O/c26-22(23-15-19-12-20(16-23)14-21(13-19)17-23)25-10-8-24(9-11-25)7-6-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2838-43 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.057
BindingDB Entry DOI: 10.7270/Q2CJ8D5S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50093797
PNG
(Adamantane-1-carboxylic acid {1-[2-(4-cyano-phenyl...)
Show SMILES O=C(NC1CCN(CCc2ccc(cc2)C#N)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H31N3O/c25-15-18-3-1-17(2-4-18)5-7-27-8-6-22(16-27)26-23(28)24-12-19-9-20(13-24)11-21(10-19)14-24/h1-4,19-22H,5-14,16H2,(H,26,28)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
The compound was evaluated for the ability to displace [3H]- 8-OH -DPAT from 5-hydroxytryptamine 1A receptor ( striata of male wistar rats)


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086853
PNG
(CHEMBL82652 | Cyclohexanecarboxylic acid ((R)-1-ph...)
Show SMILES O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 2 receptor from striata of male Wistar rats by displacement of [3H]-ketanserin


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50093790
PNG
(CHEMBL3585956)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)c(F)c2)c(C)n1
Show InChI InChI=1/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-3-5-17(24)18(25)7-14)8-16(22)21(30)29-20-6-4-15(23)9-27-20/h3-7,9-10,16H,8,11H2,1-2H3,(H,27,29,30)/t16-,22+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50093788
PNG
(CHEMBL3585957)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1
Show InChI InChI=1/C23H22F2N4O2/c1-13-7-21(27-10-19(13)25)29-22(30)18-9-23(18,16-5-4-6-17(24)8-16)12-31-20-11-26-15(3)28-14(20)2/h4-8,10-11,18H,9,12H2,1-3H3,(H,27,29,30)/t18-,23+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50093794
PNG
(CHEMBL3585953)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2F)c(C)n1
Show InChI InChI=1/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(16-5-3-4-6-18(16)24)9-17(22)21(29)28-20-8-7-15(23)10-26-20/h3-8,10-11,17H,9,12H2,1-2H3,(H,26,28,29)/t17-,22+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086853
PNG
(CHEMBL82652 | Cyclohexanecarboxylic acid ((R)-1-ph...)
Show SMILES O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
The compound was evaluated for the ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor ( striata of male wistar rats)


Bioorg Med Chem Lett 10: 2457-61 (2001)


Article DOI: 10.1016/s0960-894x(00)00492-3
BindingDB Entry DOI: 10.7270/Q2VT1SN2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086855
PNG
(CHEMBL82884 | Cyclohexanecarboxylic acid ((S)-1-ph...)
Show SMILES O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against binding of Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086853
PNG
(CHEMBL82652 | Cyclohexanecarboxylic acid ((R)-1-ph...)
Show SMILES O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against binding of Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


Article DOI: 10.1016/s0960-894x(00)00030-5
BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50093792
PNG
(CHEMBL3585954)
Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)cc2)c(C)n1
Show InChI InChI=1/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-3-5-16(23)6-4-15)9-18(22)21(29)28-20-8-7-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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