BDBM50261226 1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-6-fluorophenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine::CHEMBL467771

SMILES: CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1

InChI Key: InChIKey=DJUMIBAWSMGVLY-CLOONOSVSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50261226   

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))	BDBM50261226 (1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...) Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H36ClFN4O2/c1-18(2)25(31-24(34)17-30-4)22-6-5-7-23(29)26(22)32-12-14-33(15-13-32)27(35)19(3)16-20-8-10-21(28)11-9-20/h5-11,18-19,25,30H,12-17H2,1-4H3,(H,31,34)/t19-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 3 (Homo sapiens (Human))	BDBM50261226 (1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...) Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H36ClFN4O2/c1-18(2)25(31-24(34)17-30-4)22-6-5-7-23(29)26(22)32-12-14-33(15-13-32)27(35)19(3)16-20-8-10-21(28)11-9-20/h5-11,18-19,25,30H,12-17H2,1-4H3,(H,31,34)/t19-,25+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	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 MC3R 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 5 (MC5R) (Homo sapiens (Human))	BDBM50261226 (1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...) Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H36ClFN4O2/c1-18(2)25(31-24(34)17-30-4)22-6-5-7-23(29)26(22)32-12-14-33(15-13-32)27(35)19(3)16-20-8-10-21(28)11-9-20/h5-11,18-19,25,30H,12-17H2,1-4H3,(H,31,34)/t19-,25+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	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 MC5R 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))	BDBM50261226 (1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...) Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H36ClFN4O2/c1-18(2)25(31-24(34)17-30-4)22-6-5-7-23(29)26(22)32-12-14-33(15-13-32)27(35)19(3)16-20-8-10-21(28)11-9-20/h5-11,18-19,25,30H,12-17H2,1-4H3,(H,31,34)/t19-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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