BDBM50166125 CHEMBL191303::Octanoic acid [(S)-1-((R)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-amide

SMILES: CCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=HEAWAGYKTOLXON-HVRNLMOBSA-N

Data: 4 EC50

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 = 50166125   

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 1 (Mus musculus)	BDBM50166125 (CHEMBL191303 | Octanoic acid [(S)-1-((R)-1-{(S)-1-...) Show SMILES CCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C40H55N11O5/c1-2-3-4-5-9-18-35(52)48-34(22-28-24-44-25-47-28)39(56)51-33(20-26-13-7-6-8-14-26)38(55)49-31(17-12-19-45-40(42)43)37(54)50-32(36(41)53)21-27-23-46-30-16-11-10-15-29(27)30/h6-8,10-11,13-16,23-25,31-34,46H,2-5,9,12,17-22H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33+,34-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro agonist potency for Mouse Melanocortin 1 receptor				J Med Chem 48: 3328-36 (2005) Article DOI: 10.1021/jm0490843 BindingDB Entry DOI: 10.7270/Q29K4C0B
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse))	BDBM50166125 (CHEMBL191303 | Octanoic acid [(S)-1-((R)-1-{(S)-1-...) Show SMILES CCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C40H55N11O5/c1-2-3-4-5-9-18-35(52)48-34(22-28-24-44-25-47-28)39(56)51-33(20-26-13-7-6-8-14-26)38(55)49-31(17-12-19-45-40(42)43)37(54)50-32(36(41)53)21-27-23-46-30-16-11-10-15-29(27)30/h6-8,10-11,13-16,23-25,31-34,46H,2-5,9,12,17-22H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33+,34-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro agonist potency for Mouse Melanocortin 5 receptor				J Med Chem 48: 3328-36 (2005) Article DOI: 10.1021/jm0490843 BindingDB Entry DOI: 10.7270/Q29K4C0B
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50166125 (CHEMBL191303 | Octanoic acid [(S)-1-((R)-1-{(S)-1-...) Show SMILES CCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C40H55N11O5/c1-2-3-4-5-9-18-35(52)48-34(22-28-24-44-25-47-28)39(56)51-33(20-26-13-7-6-8-14-26)38(55)49-31(17-12-19-45-40(42)43)37(54)50-32(36(41)53)21-27-23-46-30-16-11-10-15-29(27)30/h6-8,10-11,13-16,23-25,31-34,46H,2-5,9,12,17-22H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33+,34-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.52	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro agonist potency for Mouse Melanocortin 4 receptor				J Med Chem 48: 3328-36 (2005) Article DOI: 10.1021/jm0490843 BindingDB Entry DOI: 10.7270/Q29K4C0B
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50166125 (CHEMBL191303 | Octanoic acid [(S)-1-((R)-1-{(S)-1-...) Show SMILES CCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C40H55N11O5/c1-2-3-4-5-9-18-35(52)48-34(22-28-24-44-25-47-28)39(56)51-33(20-26-13-7-6-8-14-26)38(55)49-31(17-12-19-45-40(42)43)37(54)50-32(36(41)53)21-27-23-46-30-16-11-10-15-29(27)30/h6-8,10-11,13-16,23-25,31-34,46H,2-5,9,12,17-22H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33+,34-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.29	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro agonist potency for Mouse Melanocortin 3 receptor				J Med Chem 48: 3328-36 (2005) Article DOI: 10.1021/jm0490843 BindingDB Entry DOI: 10.7270/Q29K4C0B
					More data for this Ligand-Target Pair