BDBM50214696 1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one::1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifluoromethylphenyl]piperazin-1-yl}-1-(2,4-dichlorobenzyl)-2-oxoethyl]pyrrolidin-2-one::CHEMBL236940

SMILES: CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F

InChI Key: InChIKey=YXPCHDOWVWAKKP-AZGAKELHSA-N

Data: 4 KI  2 IC50

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 6 hits for monomerid = 50214696   

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))	BDBM50214696 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity at human MC4R				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50214696 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells				Bioorg Med Chem 15: 5166-76 (2007) Article DOI: 10.1016/j.bmc.2007.05.026 BindingDB Entry DOI: 10.7270/Q2FF3S2P
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50214696 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from MC5R receptor in HEK293 cells				Bioorg Med Chem 15: 5166-76 (2007) Article DOI: 10.1016/j.bmc.2007.05.026 BindingDB Entry DOI: 10.7270/Q2FF3S2P
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50214696 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from MC3R receptor in HEK293 cells				Bioorg Med Chem 15: 5166-76 (2007) Article DOI: 10.1016/j.bmc.2007.05.026 BindingDB Entry DOI: 10.7270/Q2FF3S2P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50214696 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human MC4R expressed in HEK293 cells by cAMP accumulation assay				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50214696 (1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of microsomal CYP3A4				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
					More data for this Ligand-Target Pair