Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 580.6 BDBM50168643

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50168643 (3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-...) Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1 Show InChI InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of [125I]-AgRP(83132) (radioligand) binding to the hMC4R stably expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3434-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.017 BindingDB Entry DOI: 10.7270/Q2PG1R8Q
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50168643 (3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-...) Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1 Show InChI InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC5R stably expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3434-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.017 BindingDB Entry DOI: 10.7270/Q2PG1R8Q
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50168643 (3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-...) Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1 Show InChI InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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 Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC3R stably expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3434-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.017 BindingDB Entry DOI: 10.7270/Q2PG1R8Q
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50168643 (3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-[4-...) Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1 Show InChI InChI=1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+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 Inhibition of [125I]-NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells				Bioorg Med Chem Lett 15: 3434-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.017 BindingDB Entry DOI: 10.7270/Q2PG1R8Q
					More data for this Ligand-Target Pair