Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 888.8 BDBM50266732

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

Found 3 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
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50266732 (CHEMBL4084671) Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C41H45IN8O5S/c1-24(51)47-34(21-26-12-15-27-7-2-3-8-28(27)19-26)39(54)48-32(10-6-18-46-41(44)45)38(53)50-35(20-25-13-16-30(42)17-14-25)40(55)49-33(37(43)52)22-29-23-56-36-11-5-4-9-31(29)36/h2-5,7-9,11-17,19,23,32-35H,6,10,18,20-22H2,1H3,(H2,43,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)(H4,44,45,46)/t32-,33-,34+,35+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50266732 (CHEMBL4084671) Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C41H45IN8O5S/c1-24(51)47-34(21-26-12-15-27-7-2-3-8-28(27)19-26)39(54)48-32(10-6-18-46-41(44)45)38(53)50-35(20-25-13-16-30(42)17-14-25)40(55)49-33(37(43)52)22-29-23-56-36-11-5-4-9-31(29)36/h2-5,7-9,11-17,19,23,32-35H,6,10,18,20-22H2,1H3,(H2,43,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)(H4,44,45,46)/t32-,33-,34+,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Mus musculus (Mouse))	BDBM50266732 (CHEMBL4084671) Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C41H45IN8O5S/c1-24(51)47-34(21-26-12-15-27-7-2-3-8-28(27)19-26)39(54)48-32(10-6-18-46-41(44)45)38(53)50-35(20-25-13-16-30(42)17-14-25)40(55)49-33(37(43)52)22-29-23-56-36-11-5-4-9-31(29)36/h2-5,7-9,11-17,19,23,32-35H,6,10,18,20-22H2,1H3,(H2,43,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)(H4,44,45,46)/t32-,33-,34+,35+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC5R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair