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Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'shashikumar' and Initial = 'd'   
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
Androgen receptor


(Homo sapiens (Human))
BDBM50057651
PNG
(CHEMBL3326454)
Show SMILES [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
Show InChI InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1
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MMDB

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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor in human MDA-MB-435 cells after 30 mins


J Med Chem 57: 7396-411 (2014)


Article DOI: 10.1021/jm5009049
BindingDB Entry DOI: 10.7270/Q2RB768M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381374
PNG
(CHEMBL2016724)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H28F3N5O4/c1-16-22-14-19(32-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)34-26(31-16)35-12-10-17(11-13-35)25(37)33-18-2-3-18/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,36)(H,33,37)
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n/an/a 3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381517
PNG
(CHEMBL2017748)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCS1(=O)=O
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-23-17-20(32-25(36)10-5-19-3-7-22(8-4-19)39-27(28,29)30)6-9-24(23)33-26(31-18)34-14-11-21(12-15-34)35-13-2-16-40(35,37)38/h3-10,17,21H,2,11-16H2,1H3,(H,32,36)/b10-5+
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n/an/a 4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381379
PNG
(CHEMBL2016730)
Show SMILES CC(C)NC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H31ClN6O3/c1-16(2)28-26(35)31-19-10-12-33(13-11-19)25-29-17(3)22-14-20(6-9-23(22)32-25)30-24(34)15-36-21-7-4-18(27)5-8-21/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,30,34)(H2,28,31,35)
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n/an/a 4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381362
PNG
(CHEMBL2016776)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-18(32-24(36)16-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)33-26(31-17)34-13-10-19(11-14-34)35-12-2-3-25(35)37/h4-9,15,19H,2-3,10-14,16H2,1H3,(H,32,36)
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n/an/a 4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381530
PNG
(CHEMBL2017761)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)NC(=O)CO
Show InChI InChI=1S/C26H26F3N5O4/c1-16-21-14-19(32-23(36)9-4-17-2-6-20(7-3-17)38-26(27,28)29)5-8-22(21)33-25(30-16)34-12-10-18(11-13-34)31-24(37)15-35/h2-9,14,18,35H,10-13,15H2,1H3,(H,31,37)(H,32,36)/b9-4+
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n/an/a 6n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381383
PNG
(CHEMBL2016775)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30F3N5O4/c1-18-23-16-19(32-25(36)17-38-21-3-5-22(6-4-21)39-27(28,29)30)2-7-24(23)33-26(31-18)35-10-8-20(9-11-35)34-12-14-37-15-13-34/h2-7,16,20H,8-15,17H2,1H3,(H,32,36)
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n/an/a 6n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381343
PNG
(CHEMBL2016704)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C27H30F3N5O4/c1-18-23-16-19(32-25(36)17-38-21-3-5-22(6-4-21)39-27(28,29)30)2-7-24(23)33-26(31-18)35-12-10-34(11-13-35)20-8-14-37-15-9-20/h2-7,16,20H,8-15,17H2,1H3,(H,32,36)
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n/an/a 7n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381379
PNG
(CHEMBL2016730)
Show SMILES CC(C)NC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H31ClN6O3/c1-16(2)28-26(35)31-19-10-12-33(13-11-19)25-29-17(3)22-14-20(6-9-23(22)32-25)30-24(34)15-36-21-7-4-18(27)5-8-21/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,30,34)(H2,28,31,35)
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n/an/a 7n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381360
PNG
(CHEMBL2016722)
Show SMILES CC(C)NC(=O)C1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C27H30F3N5O4/c1-16(2)31-25(37)18-10-12-35(13-11-18)26-32-17(3)22-14-19(4-9-23(22)34-26)33-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,31,37)(H,33,36)
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n/an/a 9n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381374
PNG
(CHEMBL2016724)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H28F3N5O4/c1-16-22-14-19(32-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)34-26(31-16)35-12-10-17(11-13-35)25(37)33-18-2-3-18/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,36)(H,33,37)
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n/an/a 9n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381510
PNG
(CHEMBL2017741)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C28H30F3N5O3/c1-19-24-18-21(33-26(37)9-4-20-2-6-23(7-3-20)39-28(29,30)31)5-8-25(24)34-27(32-19)36-12-10-22(11-13-36)35-14-16-38-17-15-35/h2-9,18,22H,10-17H2,1H3,(H,33,37)/b9-4+
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n/an/a 10n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381375
PNG
(CHEMBL2016726)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H27F3N4O4/c1-16-22-14-19(32-24(35)15-37-20-5-7-21(8-6-20)38-27(28,29)30)4-9-23(22)33-26(31-16)34-12-10-18(11-13-34)25(36)17-2-3-17/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,35)
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n/an/a 10n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381513
PNG
(CHEMBL2017744)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C28H28F3N5O3/c1-18-23-17-20(33-25(37)11-6-19-4-8-22(9-5-19)39-28(29,30)31)7-10-24(23)34-27(32-18)35-15-12-21(13-16-35)36-14-2-3-26(36)38/h4-11,17,21H,2-3,12-16H2,1H3,(H,33,37)/b11-6+
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n/an/a 11n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381513
PNG
(CHEMBL2017744)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C28H28F3N5O3/c1-18-23-17-20(33-25(37)11-6-19-4-8-22(9-5-19)39-28(29,30)31)7-10-24(23)34-27(32-18)35-15-12-21(13-16-35)36-14-2-3-26(36)38/h4-11,17,21H,2-3,12-16H2,1H3,(H,33,37)/b11-6+
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n/an/a 12n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381510
PNG
(CHEMBL2017741)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C28H30F3N5O3/c1-19-24-18-21(33-26(37)9-4-20-2-6-23(7-3-20)39-28(29,30)31)5-8-25(24)34-27(32-19)36-12-10-22(11-13-36)35-14-16-38-17-15-35/h2-9,18,22H,10-17H2,1H3,(H,33,37)/b9-4+
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n/an/a 13n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381511
PNG
(CHEMBL2017742)
Show SMILES Cc1nc(nc2ccc(NC(=O)C=Cc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1=O |w:13.13|
Show InChI InChI=1S/C28H28F3N5O4/c1-18-23-16-20(33-25(37)9-4-19-2-6-22(7-3-19)40-28(29,30)31)5-8-24(23)34-27(32-18)35-12-10-21(11-13-35)36-14-15-39-17-26(36)38/h2-9,16,21H,10-15,17H2,1H3,(H,33,37)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381375
PNG
(CHEMBL2016726)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H27F3N4O4/c1-16-22-14-19(32-24(35)15-37-20-5-7-21(8-6-20)38-27(28,29)30)4-9-23(22)33-26(31-16)34-12-10-18(11-13-34)25(36)17-2-3-17/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,35)
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n/an/a 14n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381531
PNG
(CHEMBL2017762)
Show SMILES COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-20(33-24(36)10-5-18-3-7-21(8-4-18)39-27(28,29)30)6-9-23(22)34-26(31-17)35-13-11-19(12-14-35)32-25(37)16-38-2/h3-10,15,19H,11-14,16H2,1-2H3,(H,32,37)(H,33,36)/b10-5+
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n/an/a 14n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381527
PNG
(CHEMBL2017757)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C24H26ClN5O3S/c1-16-21-15-20(27-23(31)10-5-17-3-6-18(25)7-4-17)8-9-22(21)28-24(26-16)30-13-11-19(12-14-30)29-34(2,32)33/h3-10,15,19,29H,11-14H2,1-2H3,(H,27,31)/b10-5+
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n/an/a 14n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381512
PNG
(CHEMBL2017743)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCCC1=O
Show InChI InChI=1S/C29H30F3N5O3/c1-19-24-18-21(34-26(38)12-7-20-5-9-23(10-6-20)40-29(30,31)32)8-11-25(24)35-28(33-19)36-16-13-22(14-17-36)37-15-3-2-4-27(37)39/h5-12,18,22H,2-4,13-17H2,1H3,(H,34,38)/b12-7+
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n/an/a 15n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381371
PNG
(CHEMBL2016721)
Show SMILES CC(C)NC(=O)C1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H30ClN5O3/c1-16(2)28-25(34)18-10-12-32(13-11-18)26-29-17(3)22-14-20(6-9-23(22)31-26)30-24(33)15-35-21-7-4-19(27)5-8-21/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,28,34)(H,30,33)
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n/an/a 15n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381378
PNG
(CHEMBL2016729)
Show SMILES CC(C)C(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H30ClN5O3/c1-16(2)25(34)30-19-10-12-32(13-11-19)26-28-17(3)22-14-20(6-9-23(22)31-26)29-24(33)15-35-21-7-4-18(27)5-8-21/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,29,33)(H,30,34)
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n/an/a 15n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381509
PNG
(CHEMBL2017740)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30ClN5O2/c1-19-24-18-22(30-26(34)9-4-20-2-5-21(28)6-3-20)7-8-25(24)31-27(29-19)33-12-10-23(11-13-33)32-14-16-35-17-15-32/h2-9,18,23H,10-17H2,1H3,(H,30,34)/b9-4+
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n/an/a 16n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381383
PNG
(CHEMBL2016775)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30F3N5O4/c1-18-23-16-19(32-25(36)17-38-21-3-5-22(6-4-21)39-27(28,29)30)2-7-24(23)33-26(31-18)35-10-8-20(9-11-35)34-12-14-37-15-13-34/h2-7,16,20H,8-15,17H2,1H3,(H,32,36)
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n/an/a 16n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381485
PNG
(CHEMBL2017593)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CC1)C1CC1
Show InChI InChI=1S/C26H27ClN4O2/c1-17-22-16-21(29-24(32)11-4-18-2-7-20(27)8-3-18)9-10-23(22)30-25(28-17)31-14-12-26(33,13-15-31)19-5-6-19/h2-4,7-11,16,19,33H,5-6,12-15H2,1H3,(H,29,32)/b11-4+
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n/an/a 16n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381517
PNG
(CHEMBL2017748)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCS1(=O)=O
Show InChI InChI=1S/C27H28F3N5O4S/c1-18-23-17-20(32-25(36)10-5-19-3-7-22(8-4-19)39-27(28,29)30)6-9-24(23)33-26(31-18)34-14-11-21(12-15-34)35-13-2-16-40(35,37)38/h3-10,17,21H,2,11-16H2,1H3,(H,32,36)/b10-5+
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n/an/a 16n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381360
PNG
(CHEMBL2016722)
Show SMILES CC(C)NC(=O)C1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C27H30F3N5O4/c1-16(2)31-25(37)18-10-12-35(13-11-18)26-32-17(3)22-14-19(4-9-23(22)34-26)33-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,31,37)(H,33,36)
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n/an/a 17n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381509
PNG
(CHEMBL2017740)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30ClN5O2/c1-19-24-18-22(30-26(34)9-4-20-2-5-21(28)6-3-20)7-8-25(24)31-27(29-19)33-12-10-23(11-13-33)32-14-16-35-17-15-32/h2-9,18,23H,10-17H2,1H3,(H,30,34)/b9-4+
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381373
PNG
(CHEMBL2016723)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H28F3N5O4/c1-16-21-14-18(31-23(35)15-37-19-5-7-20(8-6-19)38-26(27,28)29)4-9-22(21)32-25(30-16)34-12-10-17(11-13-34)24(36)33(2)3/h4-9,14,17H,10-13,15H2,1-3H3,(H,31,35)
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n/an/a 18n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381518
PNG
(CHEMBL2017751)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CC(C)(C)OC1=O
Show InChI InChI=1S/C29H30F3N5O4/c1-18-23-16-20(34-25(38)11-6-19-4-8-22(9-5-19)40-29(30,31)32)7-10-24(23)35-26(33-18)36-14-12-21(13-15-36)37-17-28(2,3)41-27(37)39/h4-11,16,21H,12-15,17H2,1-3H3,(H,34,38)/b11-6+
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n/an/a 18n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381362
PNG
(CHEMBL2016776)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-18(32-24(36)16-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)33-26(31-17)34-13-10-19(11-14-34)35-12-2-3-25(35)37/h4-9,15,19H,2-3,10-14,16H2,1H3,(H,32,36)
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n/an/a 19n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381529
PNG
(CHEMBL2017760)
Show SMILES COCC(=O)NC1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H28ClN5O3/c1-17-22-15-21(30-24(33)10-5-18-3-6-19(27)7-4-18)8-9-23(22)31-26(28-17)32-13-11-20(12-14-32)29-25(34)16-35-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,29,34)(H,30,33)/b10-5+
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381508
PNG
(CHEMBL2017618)
Show SMILES Cc1nc(NCCCC(=O)NC2CC2)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C26H26F3N5O3/c1-16-21-15-19(33-24(36)13-6-17-4-10-20(11-5-17)37-26(27,28)29)9-12-22(21)34-25(31-16)30-14-2-3-23(35)32-18-7-8-18/h4-6,9-13,15,18H,2-3,7-8,14H2,1H3,(H,32,35)(H,33,36)(H,30,31,34)/b13-6+
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n/an/a 20n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381515
PNG
(CHEMBL2017746)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C27H28ClN5O2/c1-18-23-17-21(30-25(34)11-6-19-4-7-20(28)8-5-19)9-10-24(23)31-27(29-18)32-15-12-22(13-16-32)33-14-2-3-26(33)35/h4-11,17,22H,2-3,12-16H2,1H3,(H,30,34)/b11-6+
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381361
PNG
(CHEMBL2016731)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H30ClN5O2/c1-18-23-16-20(29-25(33)17-34-22-7-4-19(27)5-8-22)6-9-24(23)30-26(28-18)32-14-10-21(11-15-32)31-12-2-3-13-31/h4-9,16,21H,2-3,10-15,17H2,1H3,(H,29,33)
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n/an/a 20n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381520
PNG
(CHEMBL2017753)
Show SMILES CN1CCN(C2CCN(CC2)c2nc(C)c3cc(NC(=O)\C=C\c4ccc(OC(F)(F)F)cc4)ccc3n2)C1=O
Show InChI InChI=1S/C28H29F3N6O3/c1-18-23-17-20(33-25(38)10-5-19-3-7-22(8-4-19)40-28(29,30)31)6-9-24(23)34-26(32-18)36-13-11-21(12-14-36)37-16-15-35(2)27(37)39/h3-10,17,21H,11-16H2,1-2H3,(H,33,38)/b10-5+
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n/an/a 21n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381520
PNG
(CHEMBL2017753)
Show SMILES CN1CCN(C2CCN(CC2)c2nc(C)c3cc(NC(=O)\C=C\c4ccc(OC(F)(F)F)cc4)ccc3n2)C1=O
Show InChI InChI=1S/C28H29F3N6O3/c1-18-23-17-20(33-25(38)10-5-19-3-7-22(8-4-19)40-28(29,30)31)6-9-24(23)34-26(32-18)36-13-11-21(12-14-36)37-16-15-35(2)27(37)39/h3-10,17,21H,11-16H2,1-2H3,(H,33,38)/b10-5+
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n/an/a 21n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381377
PNG
(CHEMBL2016728)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(N)CC1
Show InChI InChI=1S/C23H24F3N5O3/c1-14-19-12-16(2-7-20(19)30-22(28-14)31-10-8-15(27)9-11-31)29-21(32)13-33-17-3-5-18(6-4-17)34-23(24,25)26/h2-7,12,15H,8-11,13,27H2,1H3,(H,29,32)
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n/an/a 22n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381363
PNG
(CHEMBL2016725)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-14-19-12-16(30-21(33)13-35-17-3-5-18(6-4-17)36-24(25,26)27)2-7-20(19)31-23(29-14)32-10-8-15(9-11-32)22(28)34/h2-7,12,15H,8-11,13H2,1H3,(H2,28,34)(H,30,33)
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n/an/a 23n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381506
PNG
(CHEMBL2017616)
Show SMILES Cc1nc(NCCNC(=O)C2CC2)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C25H24F3N5O3/c1-15-20-14-18(32-22(34)11-4-16-2-8-19(9-3-16)36-25(26,27)28)7-10-21(20)33-24(31-15)30-13-12-29-23(35)17-5-6-17/h2-4,7-11,14,17H,5-6,12-13H2,1H3,(H,29,35)(H,32,34)(H,30,31,33)/b11-4+
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n/an/a 23n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381498
PNG
(CHEMBL2017606)
Show SMILES CC(=O)CC1(O)CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H27ClN4O3/c1-17(32)16-26(34)11-13-31(14-12-26)25-28-18(2)22-15-21(8-9-23(22)30-25)29-24(33)10-5-19-3-6-20(27)7-4-19/h3-10,15,34H,11-14,16H2,1-2H3,(H,29,33)/b10-5+
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n/an/a 24n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381371
PNG
(CHEMBL2016721)
Show SMILES CC(C)NC(=O)C1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C26H30ClN5O3/c1-16(2)28-25(34)18-10-12-32(13-11-18)26-29-17(3)22-14-20(6-9-23(22)31-26)30-24(33)15-35-21-7-4-19(27)5-8-21/h4-9,14,16,18H,10-13,15H2,1-3H3,(H,28,34)(H,30,33)
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n/an/a 25n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381530
PNG
(CHEMBL2017761)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)NC(=O)CO
Show InChI InChI=1S/C26H26F3N5O4/c1-16-21-14-19(32-23(36)9-4-17-2-6-20(7-3-17)38-26(27,28)29)5-8-22(21)33-25(30-16)34-12-10-18(11-13-34)31-24(37)15-35/h2-9,14,18,35H,10-13,15H2,1H3,(H,31,37)(H,32,36)/b9-4+
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n/an/a 26n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381521
PNG
(CHEMBL2017754)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCNS1(=O)=O
Show InChI InChI=1S/C26H27F3N6O4S/c1-17-22-16-19(32-24(36)9-4-18-2-6-21(7-3-18)39-26(27,28)29)5-8-23(22)33-25(31-17)34-13-10-20(11-14-34)35-15-12-30-40(35,37)38/h2-9,16,20,30H,10-15H2,1H3,(H,32,36)/b9-4+
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n/an/a 26n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381507
PNG
(CHEMBL2017617)
Show SMILES Cc1nc(NCCCNC(=O)C2CC2)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C26H26F3N5O3/c1-16-21-15-19(33-23(35)12-5-17-3-9-20(10-4-17)37-26(27,28)29)8-11-22(21)34-25(32-16)31-14-2-13-30-24(36)18-6-7-18/h3-5,8-12,15,18H,2,6-7,13-14H2,1H3,(H,30,36)(H,33,35)(H,31,32,34)/b12-5+
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n/an/a 26n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381365
PNG
(CHEMBL2016781)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(O)(CC1)C1CCC1
Show InChI InChI=1S/C27H29F3N4O4/c1-17-22-15-19(32-24(35)16-37-20-6-8-21(9-7-20)38-27(28,29)30)5-10-23(22)33-25(31-17)34-13-11-26(36,12-14-34)18-3-2-4-18/h5-10,15,18,36H,2-4,11-14,16H2,1H3,(H,32,35)
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n/an/a 27n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381528
PNG
(CHEMBL2017759)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)NC(=O)CO
Show InChI InChI=1S/C25H26ClN5O3/c1-16-21-14-20(29-23(33)9-4-17-2-5-18(26)6-3-17)7-8-22(21)30-25(27-16)31-12-10-19(11-13-31)28-24(34)15-32/h2-9,14,19,32H,10-13,15H2,1H3,(H,28,34)(H,29,33)/b9-4+
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n/an/a 27n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381502
PNG
(CHEMBL2017612)
Show SMILES Cc1nc(NCCCO)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C22H21F3N4O3/c1-14-18-13-16(6-9-19(18)29-21(27-14)26-11-2-12-30)28-20(31)10-5-15-3-7-17(8-4-15)32-22(23,24)25/h3-10,13,30H,2,11-12H2,1H3,(H,28,31)(H,26,27,29)/b10-5+
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n/an/a 30n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381511
PNG
(CHEMBL2017742)
Show SMILES Cc1nc(nc2ccc(NC(=O)C=Cc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1=O |w:13.13|
Show InChI InChI=1S/C28H28F3N5O4/c1-18-23-16-20(33-25(37)9-4-19-2-6-22(7-3-19)40-28(29,30)31)5-8-24(23)34-27(32-18)35-12-10-21(11-13-35)36-14-15-39-17-26(36)38/h2-9,16,21H,10-15,17H2,1H3,(H,33,37)
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n/an/a 30n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
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