BDBM50224179 1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(2-fluoro-4-chlorophenyl)propionyl]piperazine::CHEMBL391056::N-((S)-1-(2-(4-((R)-3-(4-chloro-2-fluorophenyl)-2-methylpropanoyl)piperazin-1-yl)-5-methylphenyl)-2-methylpropyl)-3-(dimethylamino)propanamide

SMILES: CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F

InChI Key: InChIKey=NIDQERYOGAPSJL-MNNSJKJDSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50224179   

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))	BDBM50224179 (1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...) Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r| Show InChI InChI=1S/C30H42ClFN4O2/c1-20(2)29(33-28(37)11-12-34(5)6)25-17-21(3)7-10-27(25)35-13-15-36(16-14-35)30(38)22(4)18-23-8-9-24(31)19-26(23)32/h7-10,17,19-20,22,29H,11-16,18H2,1-6H3,(H,33,37)/t22-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	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 human MC4R expressed in HEK293 cells				J Med Chem 50: 5249-52 (2007) Article DOI: 10.1021/jm070806a BindingDB Entry DOI: 10.7270/Q29C6X6B
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50224179 (1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...) Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r| Show InChI InChI=1S/C30H42ClFN4O2/c1-20(2)29(33-28(37)11-12-34(5)6)25-17-21(3)7-10-27(25)35-13-15-36(16-14-35)30(38)22(4)18-23-8-9-24(31)19-26(23)32/h7-10,17,19-20,22,29H,11-16,18H2,1-6H3,(H,33,37)/t22-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	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 human MC4R expressed in HEK293 cells				Bioorg Med Chem 16: 5606-18 (2008) Article DOI: 10.1016/j.bmc.2008.03.072 BindingDB Entry DOI: 10.7270/Q2TX3F54
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50224179 (1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...) Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r| Show InChI InChI=1S/C30H42ClFN4O2/c1-20(2)29(33-28(37)11-12-34(5)6)25-17-21(3)7-10-27(25)35-13-15-36(16-14-35)30(38)22(4)18-23-8-9-24(31)19-26(23)32/h7-10,17,19-20,22,29H,11-16,18H2,1-6H3,(H,33,37)/t22-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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 CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA				Bioorg Med Chem 16: 5606-18 (2008) Article DOI: 10.1016/j.bmc.2008.03.072 BindingDB Entry DOI: 10.7270/Q2TX3F54
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50224179 (1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...) Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r| Show InChI InChI=1S/C30H42ClFN4O2/c1-20(2)29(33-28(37)11-12-34(5)6)25-17-21(3)7-10-27(25)35-13-15-36(16-14-35)30(38)22(4)18-23-8-9-24(31)19-26(23)32/h7-10,17,19-20,22,29H,11-16,18H2,1-6H3,(H,33,37)/t22-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Antagonist activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP release				J Med Chem 50: 5249-52 (2007) Article DOI: 10.1021/jm070806a BindingDB Entry DOI: 10.7270/Q29C6X6B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50224179 (1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...) Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r| Show InChI InChI=1S/C30H42ClFN4O2/c1-20(2)29(33-28(37)11-12-34(5)6)25-17-21(3)7-10-27(25)35-13-15-36(16-14-35)30(38)22(4)18-23-8-9-24(31)19-26(23)32/h7-10,17,19-20,22,29H,11-16,18H2,1-6H3,(H,33,37)/t22-,29+/m1/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	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 50: 5249-52 (2007) Article DOI: 10.1021/jm070806a BindingDB Entry DOI: 10.7270/Q29C6X6B
					More data for this Ligand-Target Pair