BDBM50214681 1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trifluoromethylphenyl]piperazin-1-yl}-1-(2,4-dichlorobenzyl)-2-oxoethyl]-piperazin-2-one::CHEMBL236650

SMILES: CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F

InChI Key: InChIKey=KZZQDCIGVAXNMN-AZGAKELHSA-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 = 50214681   

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))	BDBM50214681 (1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/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))	BDBM50214681 (1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	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))	BDBM50214681 (1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	950	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))	BDBM50214681 (1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...) Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc Curated by ChEMBL					Assay Description Agonist activity at human MC4 receptor in HEK293 cells assesed as inhibition of alpha-MSH stimulated cAMP production				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