BDBM50323441 2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-pyran-4-yl)pyrrolidine-3-carbonyl)-5-methyl-3H-spiro[isobenzofuran-1,4'-piperidine]-3-yl)-2-methylpropanenitrile::CHEMBL1209788
SMILES: Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)C#N
InChI Key: InChIKey=BCFFSQJVHOEAAU-MWSYKCOMSA-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)) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human melanocortin 4 receptor expressed in CHO cells assessed as cAMP release | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 3 (Homo sapiens (Human)) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 767 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at human melanocortin 3 receptor expressed in CHO cells assessed as cAMP release | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Mus musculus) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at mouse melanocortin 4 receptor expressed in CHO cells assessed as cAMP release | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor type 1B (Homo sapiens (Human)) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human melatonin receptor type 1B | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | 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 melanocortin 4 receptor expressed in CHO cells | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor type 1B (Homo sapiens (Human)) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human melatonin receptor type 1B | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 5 (Homo sapiens (Human)) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human melanocortin 5 receptor | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Rattus norvegicus) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Agonist activity at rat melanocortin 4 receptor expressed in CHO cells assessed as cAMP release | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 3 (Homo sapiens (Human)) | BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 483 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human melanocortin 3 receptor | Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P | |||||||||||
More data for this Ligand-Target Pair |