BDBM50323442 2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)-1-((tetrahydro-2H-pyran-4-yl)methyl)pyrrolidine-3-carbonyl)-5-methyl-3H-spiro[isobenzofuran-1,4'-piperidine]-3-yl)-2-methylpropanenitrile::CHEMBL1209789

SMILES: Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(CC4CCOCC4)C[C@H]3c3ccc(F)cc3F)c2cc1Cl)C(C)(C)C#N

InChI Key: InChIKey=JXKLEENGOVSQKK-PZXMZKPCSA-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 = 50323442   

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))	BDBM50323442 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(CC4CCOCC4)C[C@H]3c3ccc(F)cc3F)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C34H40ClF2N3O3/c1-21-14-25-28(16-29(21)35)34(43-31(25)33(2,3)20-38)8-10-40(11-9-34)32(41)27-19-39(17-22-6-12-42-13-7-22)18-26(27)24-5-4-23(36)15-30(24)37/h4-5,14-16,22,26-27,31H,6-13,17-19H2,1-3H3/t26-,27+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323442 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(CC4CCOCC4)C[C@H]3c3ccc(F)cc3F)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C34H40ClF2N3O3/c1-21-14-25-28(16-29(21)35)34(43-31(25)33(2,3)20-38)8-10-40(11-9-34)32(41)27-19-39(17-22-6-12-42-13-7-22)18-26(27)24-5-4-23(36)15-30(24)37/h4-5,14-16,22,26-27,31H,6-13,17-19H2,1-3H3/t26-,27+,31-/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	96	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
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50323442 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(CC4CCOCC4)C[C@H]3c3ccc(F)cc3F)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C34H40ClF2N3O3/c1-21-14-25-28(16-29(21)35)34(43-31(25)33(2,3)20-38)8-10-40(11-9-34)32(41)27-19-39(17-22-6-12-42-13-7-22)18-26(27)24-5-4-23(36)15-30(24)37/h4-5,14-16,22,26-27,31H,6-13,17-19H2,1-3H3/t26-,27+,31-/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	735	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