BDBM50253740 CHEMBL448337::N-((R)-3-(4-Fluorophenyl)-1-((S)-4-((S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-3-oxo-2-propylpiperazin-1-yl)-1-oxopropan-2-yl)picolinamide

SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1

InChI Key InChIKey=BUTABXHVJVEFTF-RTOKGZNSSA-N

Data  3 KI  3 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50253740   

TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253740(CHEMBL448337 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1
Show InChI InChI=1S/C36H38FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-7,9-18,21,30-32H,3,8,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataKi:  35nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253740(CHEMBL448337 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1
Show InChI InChI=1S/C36H38FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-7,9-18,21,30-32H,3,8,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataKi:  215nMAssay Description:Displacement of europium-labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253740(CHEMBL448337 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1
Show InChI InChI=1S/C36H38FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-7,9-18,21,30-32H,3,8,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataKi:  637nMAssay Description:Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253740(CHEMBL448337 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1
Show InChI InChI=1S/C36H38FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-7,9-18,21,30-32H,3,8,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataEC50:  25nMAssay Description:Agonist activity at human MC4R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetMelanocyte-stimulating hormone receptor(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253740(CHEMBL448337 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1
Show InChI InChI=1S/C36H38FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-7,9-18,21,30-32H,3,8,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataEC50:  392nMAssay Description:Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Homo sapiens (Human))
Procter & Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50253740(CHEMBL448337 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1
Show InChI InChI=1S/C36H38FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-7,9-18,21,30-32H,3,8,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
Affinity DataEC50:  984nMAssay Description:Agonist activity at human MC3R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assayMore data for this Ligand-Target Pair