BDBM50314765 CHEMBL1093305::trans-N-(2-((S)-1'-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)-6-chloro-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)propan-2-yl)acetamide
SMILES: CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12
InChI Key: InChIKey=KMNARKQYUZICHM-REUBFRLUSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50314765 (CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation | Bioorg Med Chem Lett 20: 2106-10 (2010) Article DOI: 10.1016/j.bmcl.2010.02.058 BindingDB Entry DOI: 10.7270/Q2QC03NP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50314765 (CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human MC4R expressed in CHO cells assessed as increase of alpha-MSH-stimulated cAMP release pretreated for 10 mins before alpha-M... | Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50314765 (CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting | Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocyte-stimulating hormone receptor (Homo sapiens (Human)) | BDBM50314765 (CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 228 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human MC1R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation | Bioorg Med Chem Lett 20: 2106-10 (2010) Article DOI: 10.1016/j.bmcl.2010.02.058 BindingDB Entry DOI: 10.7270/Q2QC03NP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50314765 (CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells | Bioorg Med Chem Lett 20: 2106-10 (2010) Article DOI: 10.1016/j.bmcl.2010.02.058 BindingDB Entry DOI: 10.7270/Q2QC03NP | |||||||||||
More data for this Ligand-Target Pair |