BindingDB logo
myBDB logout

PubMed code 27117261

Compile data set for download or QSAR
Found 31 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
GPR24


(RAT)
BDBM50163507
PNG
(CHEMBL3794256)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-21-12-19(8-9-22(21)25-27(15)18-6-7-18)26-11-10-20(13-23(26)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163509
PNG
(CHEMBL3578244)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-13-18-9-16(4-5-19(18)26-28(13)15-2-3-15)27-7-6-17(10-21(27)29)30-11-14-8-20(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163507
PNG
(CHEMBL3794256)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-21-12-19(8-9-22(21)25-27(15)18-6-7-18)26-11-10-20(13-23(26)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163507
PNG
(CHEMBL3794256)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-21-12-19(8-9-22(21)25-27(15)18-6-7-18)26-11-10-20(13-23(26)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-stimulated Ca2+ mobilization measured every 2 secs by fluorom...


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163508
PNG
(CHEMBL3578243)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2ccc(F)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20FN3O2/c1-15-21-12-19(8-9-22(21)25-27(15)18-6-7-18)26-11-10-20(13-23(26)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163497
PNG
(CHEMBL3578242)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C21H18ClN3O2/c1-14-19-11-17(7-8-20(19)23-24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163497
PNG
(CHEMBL3578242)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C21H18ClN3O2/c1-14-19-11-17(7-8-20(19)23-24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163500
PNG
(CHEMBL3793841)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2cc(cs2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C20H16F3N3O2S/c1-12-17-8-14(3-4-18(17)24-25(12)2)26-6-5-15(9-19(26)27)28-10-16-7-13(11-29-16)20(21,22)23/h3-9,11H,10H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163509
PNG
(CHEMBL3578244)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-13-18-9-16(4-5-19(18)26-28(13)15-2-3-15)27-7-6-17(10-21(27)29)30-11-14-8-20(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163508
PNG
(CHEMBL3578243)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2ccc(F)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20FN3O2/c1-15-21-12-19(8-9-22(21)25-27(15)18-6-7-18)26-11-10-20(13-23(26)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163505
PNG
(CHEMBL3793016)
Show SMILES CCn1nc2ccc(cc2c1C)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C22H20ClN3O2/c1-3-26-15(2)20-12-18(8-9-21(20)24-26)25-11-10-19(13-22(25)27)28-14-16-4-6-17(23)7-5-16/h4-13H,3,14H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163553
PNG
(CHEMBL3792826)
Show SMILES Cc1c(nn2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-21-12-19(8-11-27(21)25-23(15)17-4-5-17)26-10-9-20(13-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163501
PNG
(CHEMBL3793001)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C20H16F3N3O2S/c1-12-16-8-14(3-4-17(16)24-25(12)2)26-6-5-15(9-19(26)27)28-10-13-7-18(29-11-13)20(21,22)23/h3-9,11H,10H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163500
PNG
(CHEMBL3793841)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2cc(cs2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C20H16F3N3O2S/c1-12-17-8-14(3-4-18(17)24-25(12)2)26-6-5-15(9-19(26)27)28-10-16-7-13(11-29-16)20(21,22)23/h3-9,11H,10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163504
PNG
(CHEMBL3792764)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2ccc(F)cc2)cc1=O
Show InChI InChI=1S/C21H18FN3O2/c1-14-19-11-17(7-8-20(19)23-24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163502
PNG
(CHEMBL3793312)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2nc(cs2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C19H15F3N4O2S/c1-11-14-7-12(3-4-15(14)24-25(11)2)26-6-5-13(8-18(26)27)28-9-17-23-16(10-29-17)19(20,21)22/h3-8,10H,9H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163509
PNG
(CHEMBL3578244)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-13-18-9-16(4-5-19(18)26-28(13)15-2-3-15)27-7-6-17(10-21(27)29)30-11-14-8-20(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-stimulated Ca2+ mobilization measured every 2 secs by fluorom...


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163501
PNG
(CHEMBL3793001)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C20H16F3N3O2S/c1-12-16-8-14(3-4-17(16)24-25(12)2)26-6-5-15(9-19(26)27)28-10-13-7-18(29-11-13)20(21,22)23/h3-9,11H,10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents


Similars

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



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163499
PNG
(CHEMBL3792893)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2ccc(s2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C20H16F3N3O2S/c1-12-16-9-13(3-5-17(16)24-25(12)2)26-8-7-14(10-19(26)27)28-11-15-4-6-18(29-15)20(21,22)23/h3-10H,11H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163510
PNG
(CHEMBL3794501)
Show SMILES Cc1nn(C)c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C21H18ClN3O2/c1-14-19-11-17(7-8-20(19)24(2)23-14)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163504
PNG
(CHEMBL3792764)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2ccc(F)cc2)cc1=O
Show InChI InChI=1S/C21H18FN3O2/c1-14-19-11-17(7-8-20(19)23-24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163503
PNG
(CHEMBL3793142)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2csc(n2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C19H15F3N4O2S/c1-11-15-7-13(3-4-16(15)24-25(11)2)26-6-5-14(8-17(26)27)28-9-12-10-29-18(23-12)19(20,21)22/h3-8,10H,9H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163506
PNG
(CHEMBL3794208)
Show SMILES CCCn1nc2ccc(cc2c1C)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C23H22ClN3O2/c1-3-11-27-16(2)21-13-19(8-9-22(21)25-27)26-12-10-20(14-23(26)28)29-15-17-4-6-18(24)7-5-17/h4-10,12-14H,3,11,15H2,1-2H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163502
PNG
(CHEMBL3793312)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2nc(cs2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C19H15F3N4O2S/c1-11-14-7-12(3-4-15(14)24-25(11)2)26-6-5-13(8-18(26)27)28-9-17-23-16(10-29-17)19(20,21)22/h3-8,10H,9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163505
PNG
(CHEMBL3793016)
Show SMILES CCn1nc2ccc(cc2c1C)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C22H20ClN3O2/c1-3-26-15(2)20-12-18(8-9-21(20)24-26)25-11-10-19(13-22(25)27)28-14-16-4-6-17(23)7-5-16/h4-13H,3,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163554
PNG
(CHEMBL3793053)
Show SMILES Cn1c(cc2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C24H21ClN2O2/c1-26-22(17-4-5-17)12-18-6-9-20(13-23(18)26)27-11-10-21(14-24(27)28)29-15-16-2-7-19(25)8-3-16/h2-3,6-14,17H,4-5,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163499
PNG
(CHEMBL3792893)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2ccc(s2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C20H16F3N3O2S/c1-12-16-9-13(3-5-17(16)24-25(12)2)26-8-7-14(10-19(26)27)28-11-15-4-6-18(29-15)20(21,22)23/h3-10H,11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163506
PNG
(CHEMBL3794208)
Show SMILES CCCn1nc2ccc(cc2c1C)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show InChI InChI=1S/C23H22ClN3O2/c1-3-11-27-16(2)21-13-19(8-9-22(21)25-27)26-12-10-20(14-23(26)28)29-15-17-4-6-18(24)7-5-17/h4-10,12-14H,3,11,15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163503
PNG
(CHEMBL3793142)
Show SMILES Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2csc(n2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C19H15F3N4O2S/c1-11-15-7-13(3-4-16(15)24-25(11)2)26-6-5-14(8-17(26)27)28-9-12-10-29-18(23-12)19(20,21)22/h3-8,10H,9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50163509
PNG
(CHEMBL3578244)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-13-18-9-16(4-5-19(18)26-28(13)15-2-3-15)27-7-6-17(10-21(27)29)30-11-14-8-20(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Time-dependent inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163509
PNG
(CHEMBL3578244)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-13-18-9-16(4-5-19(18)26-28(13)15-2-3-15)27-7-6-17(10-21(27)29)30-11-14-8-20(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%