BDBM50323450 2-((S)-5-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-pyran-4-yl)pyrrolidine-3-carbonyl)-6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-3-yl)-2-methylpropanenitrile::CHEMBL1208802

SMILES: CC(C)(C#N)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(F)c(Cl)cc12

InChI Key: InChIKey=GTNSRGRUCFLVRE-IRYADYCUSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50323450   

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))	BDBM50323450 (2-((S)-5-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES CC(C)(C#N)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(F)c(Cl)cc12 |r| Show InChI InChI=1S/C32H35ClF3N3O3/c1-31(2,18-37)29-22-14-26(33)28(36)15-25(22)32(42-29)7-9-38(10-8-32)30(40)24-17-39(20-5-11-41-12-6-20)16-23(24)21-4-3-19(34)13-27(21)35/h3-4,13-15,20,23-24,29H,5-12,16-17H2,1-2H3/t23-,24+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	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 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))	BDBM50323450 (2-((S)-5-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES CC(C)(C#N)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(F)c(Cl)cc12 |r| Show InChI InChI=1S/C32H35ClF3N3O3/c1-31(2,18-37)29-22-14-26(33)28(36)15-25(22)32(42-29)7-9-38(10-8-32)30(40)24-17-39(20-5-11-41-12-6-20)16-23(24)21-4-3-19(34)13-27(21)35/h3-4,13-15,20,23-24,29H,5-12,16-17H2,1-2H3/t23-,24+,29-/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	17	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