BDBM50252902 Ac-His-DNal(2)-Arg-Trp-NH2::CHEMBL454736

SMILES: CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=OHBCPCNJWIQQPW-ZWDYZTTJSA-N

Data: 2 KI  2 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 = 50252902   

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 (Mus musculus)	BDBM50252902 (Ac-His-DNal(2)-Arg-Trp-NH2 | CHEMBL454736) Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,29.31,wD:14.14,40.42,(4.17,-10.81,;2.84,-10.04,;2.84,-8.5,;1.5,-10.81,;1.5,-12.35,;.17,-13.12,;-1.16,-12.35,;-1.31,-10.85,;-2.79,-10.52,;-3.53,-11.84,;-2.51,-12.96,;2.84,-13.12,;2.84,-14.66,;4.17,-12.35,;5.5,-13.12,;5.5,-14.66,;6.83,-15.42,;8.16,-14.65,;9.48,-15.41,;9.48,-16.95,;10.82,-17.73,;10.82,-19.27,;9.46,-20.04,;8.14,-19.26,;8.14,-17.72,;6.82,-16.95,;6.83,-12.35,;6.83,-10.81,;8.17,-13.1,;9.51,-12.34,;9.51,-10.8,;10.84,-10.03,;10.84,-8.49,;12.17,-7.72,;12.17,-6.18,;10.85,-5.4,;13.5,-5.41,;10.84,-13.1,;10.84,-14.64,;12.17,-12.33,;13.5,-13.11,;13.5,-14.65,;14.84,-15.42,;16.27,-14.7,;17.32,-15.82,;16.59,-17.17,;17.09,-18.64,;16.08,-19.79,;14.56,-19.51,;14.06,-18.04,;15.07,-16.88,;14.84,-12.34,;16.17,-13.11,;14.84,-10.8,)| Show InChI InChI=1S/C38H45N11O5/c1-22(50)46-33(18-27-20-42-21-45-27)37(54)49-32(16-23-12-13-24-7-2-3-8-25(24)15-23)36(53)47-30(11-6-14-43-38(40)41)35(52)48-31(34(39)51)17-26-19-44-29-10-5-4-9-28(26)29/h2-5,7-10,12-13,15,19-21,30-33,44H,6,11,14,16-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as effect on MT2 peptide-induced response by CRE/beta-galactosidase reporter gen...				J Med Chem 51: 5585-93 (2008) Article DOI: 10.1021/jm800291b BindingDB Entry DOI: 10.7270/Q2K64JZN
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50252902 (Ac-His-DNal(2)-Arg-Trp-NH2 | CHEMBL454736) Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,29.31,wD:14.14,40.42,(4.17,-10.81,;2.84,-10.04,;2.84,-8.5,;1.5,-10.81,;1.5,-12.35,;.17,-13.12,;-1.16,-12.35,;-1.31,-10.85,;-2.79,-10.52,;-3.53,-11.84,;-2.51,-12.96,;2.84,-13.12,;2.84,-14.66,;4.17,-12.35,;5.5,-13.12,;5.5,-14.66,;6.83,-15.42,;8.16,-14.65,;9.48,-15.41,;9.48,-16.95,;10.82,-17.73,;10.82,-19.27,;9.46,-20.04,;8.14,-19.26,;8.14,-17.72,;6.82,-16.95,;6.83,-12.35,;6.83,-10.81,;8.17,-13.1,;9.51,-12.34,;9.51,-10.8,;10.84,-10.03,;10.84,-8.49,;12.17,-7.72,;12.17,-6.18,;10.85,-5.4,;13.5,-5.41,;10.84,-13.1,;10.84,-14.64,;12.17,-12.33,;13.5,-13.11,;13.5,-14.65,;14.84,-15.42,;16.27,-14.7,;17.32,-15.82,;16.59,-17.17,;17.09,-18.64,;16.08,-19.79,;14.56,-19.51,;14.06,-18.04,;15.07,-16.88,;14.84,-12.34,;16.17,-13.11,;14.84,-10.8,)| Show InChI InChI=1S/C38H45N11O5/c1-22(50)46-33(18-27-20-42-21-45-27)37(54)49-32(16-23-12-13-24-7-2-3-8-25(24)15-23)36(53)47-30(11-6-14-43-38(40)41)35(52)48-31(34(39)51)17-26-19-44-29-10-5-4-9-28(26)29/h2-5,7-10,12-13,15,19-21,30-33,44H,6,11,14,16-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32-,33+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at mouse MC3R expressed in HEK293 cells assessed as effect on MT2 peptide-induced response by CRE/beta-galactosidase reporter gen...				J Med Chem 51: 5585-93 (2008) Article DOI: 10.1021/jm800291b BindingDB Entry DOI: 10.7270/Q2K64JZN
					More data for this Ligand-Target Pair
Melanocortin receptor 1 (Mus musculus)	BDBM50252902 (Ac-His-DNal(2)-Arg-Trp-NH2 | CHEMBL454736) Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,29.31,wD:14.14,40.42,(4.17,-10.81,;2.84,-10.04,;2.84,-8.5,;1.5,-10.81,;1.5,-12.35,;.17,-13.12,;-1.16,-12.35,;-1.31,-10.85,;-2.79,-10.52,;-3.53,-11.84,;-2.51,-12.96,;2.84,-13.12,;2.84,-14.66,;4.17,-12.35,;5.5,-13.12,;5.5,-14.66,;6.83,-15.42,;8.16,-14.65,;9.48,-15.41,;9.48,-16.95,;10.82,-17.73,;10.82,-19.27,;9.46,-20.04,;8.14,-19.26,;8.14,-17.72,;6.82,-16.95,;6.83,-12.35,;6.83,-10.81,;8.17,-13.1,;9.51,-12.34,;9.51,-10.8,;10.84,-10.03,;10.84,-8.49,;12.17,-7.72,;12.17,-6.18,;10.85,-5.4,;13.5,-5.41,;10.84,-13.1,;10.84,-14.64,;12.17,-12.33,;13.5,-13.11,;13.5,-14.65,;14.84,-15.42,;16.27,-14.7,;17.32,-15.82,;16.59,-17.17,;17.09,-18.64,;16.08,-19.79,;14.56,-19.51,;14.06,-18.04,;15.07,-16.88,;14.84,-12.34,;16.17,-13.11,;14.84,-10.8,)| Show InChI InChI=1S/C38H45N11O5/c1-22(50)46-33(18-27-20-42-21-45-27)37(54)49-32(16-23-12-13-24-7-2-3-8-25(24)15-23)36(53)47-30(11-6-14-43-38(40)41)35(52)48-31(34(39)51)17-26-19-44-29-10-5-4-9-28(26)29/h2-5,7-10,12-13,15,19-21,30-33,44H,6,11,14,16-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32-,33+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	92.8	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells by CRE/beta-galactosidase reporter gene assay				J Med Chem 51: 5585-93 (2008) Article DOI: 10.1021/jm800291b BindingDB Entry DOI: 10.7270/Q2K64JZN
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse))	BDBM50252902 (Ac-His-DNal(2)-Arg-Trp-NH2 | CHEMBL454736) Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,29.31,wD:14.14,40.42,(4.17,-10.81,;2.84,-10.04,;2.84,-8.5,;1.5,-10.81,;1.5,-12.35,;.17,-13.12,;-1.16,-12.35,;-1.31,-10.85,;-2.79,-10.52,;-3.53,-11.84,;-2.51,-12.96,;2.84,-13.12,;2.84,-14.66,;4.17,-12.35,;5.5,-13.12,;5.5,-14.66,;6.83,-15.42,;8.16,-14.65,;9.48,-15.41,;9.48,-16.95,;10.82,-17.73,;10.82,-19.27,;9.46,-20.04,;8.14,-19.26,;8.14,-17.72,;6.82,-16.95,;6.83,-12.35,;6.83,-10.81,;8.17,-13.1,;9.51,-12.34,;9.51,-10.8,;10.84,-10.03,;10.84,-8.49,;12.17,-7.72,;12.17,-6.18,;10.85,-5.4,;13.5,-5.41,;10.84,-13.1,;10.84,-14.64,;12.17,-12.33,;13.5,-13.11,;13.5,-14.65,;14.84,-15.42,;16.27,-14.7,;17.32,-15.82,;16.59,-17.17,;17.09,-18.64,;16.08,-19.79,;14.56,-19.51,;14.06,-18.04,;15.07,-16.88,;14.84,-12.34,;16.17,-13.11,;14.84,-10.8,)| Show InChI InChI=1S/C38H45N11O5/c1-22(50)46-33(18-27-20-42-21-45-27)37(54)49-32(16-23-12-13-24-7-2-3-8-25(24)15-23)36(53)47-30(11-6-14-43-38(40)41)35(52)48-31(34(39)51)17-26-19-44-29-10-5-4-9-28(26)29/h2-5,7-10,12-13,15,19-21,30-33,44H,6,11,14,16-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32-,33+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22.4	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse MC5R expressed in HEK293 cells by CRE/beta-galactosidase reporter gene assay				J Med Chem 51: 5585-93 (2008) Article DOI: 10.1021/jm800291b BindingDB Entry DOI: 10.7270/Q2K64JZN
					More data for this Ligand-Target Pair