BDBM50189237 (1S)-[2-{4-[3-(2,4-dichlorophenyl)propionyl]-1-piperazinyl}-5-(trifluoromethyl)phenyl]-3-methylbutylamine::(S)-1-(4-(2-(1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one::CHEMBL213738

SMILES: CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F

InChI Key: InChIKey=DCXQILJCXFVJDJ-QFIPXVFZSA-N

Data: 5 KI

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 = 50189237   

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))	BDBM50189237 ((1S)-[2-{4-[3-(2,4-dichlorophenyl)propionyl]-1-pip...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H30Cl2F3N3O/c1-16(2)13-22(31)20-14-18(25(28,29)30)5-7-23(20)32-9-11-33(12-10-32)24(34)8-4-17-3-6-19(26)15-21(17)27/h3,5-7,14-16,22H,4,8-13,31H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP production				Bioorg Med Chem Lett 16: 4674-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.088 BindingDB Entry DOI: 10.7270/Q2C53KFR
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50189237 ((1S)-[2-{4-[3-(2,4-dichlorophenyl)propionyl]-1-pip...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H30Cl2F3N3O/c1-16(2)13-22(31)20-14-18(25(28,29)30)5-7-23(20)32-9-11-33(12-10-32)24(34)8-4-17-3-6-19(26)15-21(17)27/h3,5-7,14-16,22H,4,8-13,31H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	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 18: 1124-30 (2008) Article DOI: 10.1016/j.bmcl.2007.11.128 BindingDB Entry DOI: 10.7270/Q2GF0T7H
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50189237 ((1S)-[2-{4-[3-(2,4-dichlorophenyl)propionyl]-1-pip...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H30Cl2F3N3O/c1-16(2)13-22(31)20-14-18(25(28,29)30)5-7-23(20)32-9-11-33(12-10-32)24(34)8-4-17-3-6-19(26)15-21(17)27/h3,5-7,14-16,22H,4,8-13,31H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	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 to human MC4 receptor				Bioorg Med Chem Lett 18: 4817-22 (2008) Article DOI: 10.1016/j.bmcl.2008.07.076 BindingDB Entry DOI: 10.7270/Q24T6J75
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50189237 ((1S)-[2-{4-[3-(2,4-dichlorophenyl)propionyl]-1-pip...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H30Cl2F3N3O/c1-16(2)13-22(31)20-14-18(25(28,29)30)5-7-23(20)32-9-11-33(12-10-32)24(34)8-4-17-3-6-19(26)15-21(17)27/h3,5-7,14-16,22H,4,8-13,31H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	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 to MC4 receptor				Bioorg Med Chem Lett 18: 1931-8 (2008) Article DOI: 10.1016/j.bmcl.2008.01.125 BindingDB Entry DOI: 10.7270/Q2WD409C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50189237 ((1S)-[2-{4-[3-(2,4-dichlorophenyl)propionyl]-1-pip...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H30Cl2F3N3O/c1-16(2)13-22(31)20-14-18(25(28,29)30)5-7-23(20)32-9-11-33(12-10-32)24(34)8-4-17-3-6-19(26)15-21(17)27/h3,5-7,14-16,22H,4,8-13,31H2,1-2H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	75	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]NDPMSH from human MC4R expressed in HEK293 cells				J Med Chem 50: 6356-66 (2007) Article DOI: 10.1021/jm701137s BindingDB Entry DOI: 10.7270/Q2P84BM9
					More data for this Ligand-Target Pair