BDBM50323444 2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)-1-(pentan-3-yl)pyrrolidine-3-carbonyl)-5-methyl-3H-spiro[isobenzofuran-1,4'-piperidine]-3-yl)-2-methylpropanenitrile::CHEMBL1209791

SMILES: CCC(CC)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N

InChI Key: InChIKey=ZXZJSVKKBYHDOA-MWSYKCOMSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50323444   

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))	BDBM50323444 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES CCC(CC)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N |r| Show InChI InChI=1S/C33H40ClF2N3O2/c1-6-22(7-2)39-17-25(23-9-8-21(35)15-29(23)36)26(18-39)31(40)38-12-10-33(11-13-38)27-16-28(34)20(3)14-24(27)30(41-33)32(4,5)19-37/h8-9,14-16,22,25-26,30H,6-7,10-13,17-18H2,1-5H3/t25-,26+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	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 4 (Homo sapiens (Human))	BDBM50323444 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES CCC(CC)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N |r| Show InChI InChI=1S/C33H40ClF2N3O2/c1-6-22(7-2)39-17-25(23-9-8-21(35)15-29(23)36)26(18-39)31(40)38-12-10-33(11-13-38)27-16-28(34)20(3)14-24(27)30(41-33)32(4,5)19-37/h8-9,14-16,22,25-26,30H,6-7,10-13,17-18H2,1-5H3/t25-,26+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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))	BDBM50323444 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES CCC(CC)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N |r| Show InChI InChI=1S/C33H40ClF2N3O2/c1-6-22(7-2)39-17-25(23-9-8-21(35)15-29(23)36)26(18-39)31(40)38-12-10-33(11-13-38)27-16-28(34)20(3)14-24(27)30(41-33)32(4,5)19-37/h8-9,14-16,22,25-26,30H,6-7,10-13,17-18H2,1-5H3/t25-,26+,30-/m0/s1	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	465	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