BDBM50252900 Ac-His-DPhe(pBr)-Arg-Trp-NH2::CHEMBL502093

SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=UDLFTFKLQRVSSE-FKWFRFQNSA-N

Data: 1 KI  3 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 = 50252900   

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 3 (Mus musculus)	BDBM50252900 (Ac-His-DPhe(pBr)-Arg-Trp-NH2 | CHEMBL502093) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(-7.46,-7.95,;-7.46,-9.5,;-8.78,-10.26,;-6.12,-10.26,;-4.79,-9.5,;-4.79,-7.96,;-3.45,-7.18,;-2.05,-7.82,;-1.01,-6.67,;-1.78,-5.34,;-3.29,-5.65,;-3.46,-10.27,;-3.46,-11.8,;-2.12,-9.5,;-.79,-10.27,;-.79,-11.8,;.54,-12.58,;1.89,-11.81,;3.21,-12.58,;3.21,-14.13,;4.54,-14.89,;1.88,-14.89,;.55,-14.12,;.55,-9.5,;.55,-7.96,;1.88,-10.26,;3.21,-9.5,;3.21,-7.96,;4.54,-7.19,;4.54,-5.65,;5.88,-4.88,;5.88,-3.35,;4.55,-2.58,;7.22,-2.57,;4.54,-10.27,;4.54,-11.81,;5.88,-9.5,;7.22,-10.27,;7.22,-11.82,;8.55,-12.59,;9.96,-11.96,;10.98,-13.11,;10.22,-14.44,;10.68,-15.91,;9.66,-17.06,;8.15,-16.73,;7.67,-15.27,;8.71,-14.12,;8.55,-9.51,;9.89,-10.28,;8.55,-7.98,)| Show InChI InChI=1S/C34H42BrN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	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)	BDBM50252900 (Ac-His-DPhe(pBr)-Arg-Trp-NH2 | CHEMBL502093) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(-7.46,-7.95,;-7.46,-9.5,;-8.78,-10.26,;-6.12,-10.26,;-4.79,-9.5,;-4.79,-7.96,;-3.45,-7.18,;-2.05,-7.82,;-1.01,-6.67,;-1.78,-5.34,;-3.29,-5.65,;-3.46,-10.27,;-3.46,-11.8,;-2.12,-9.5,;-.79,-10.27,;-.79,-11.8,;.54,-12.58,;1.89,-11.81,;3.21,-12.58,;3.21,-14.13,;4.54,-14.89,;1.88,-14.89,;.55,-14.12,;.55,-9.5,;.55,-7.96,;1.88,-10.26,;3.21,-9.5,;3.21,-7.96,;4.54,-7.19,;4.54,-5.65,;5.88,-4.88,;5.88,-3.35,;4.55,-2.58,;7.22,-2.57,;4.54,-10.27,;4.54,-11.81,;5.88,-9.5,;7.22,-10.27,;7.22,-11.82,;8.55,-12.59,;9.96,-11.96,;10.98,-13.11,;10.22,-14.44,;10.68,-15.91,;9.66,-17.06,;8.15,-16.73,;7.67,-15.27,;8.71,-14.12,;8.55,-9.51,;9.89,-10.28,;8.55,-7.98,)| Show InChI InChI=1S/C34H42BrN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/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	40.8	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))	BDBM50252900 (Ac-His-DPhe(pBr)-Arg-Trp-NH2 | CHEMBL502093) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(-7.46,-7.95,;-7.46,-9.5,;-8.78,-10.26,;-6.12,-10.26,;-4.79,-9.5,;-4.79,-7.96,;-3.45,-7.18,;-2.05,-7.82,;-1.01,-6.67,;-1.78,-5.34,;-3.29,-5.65,;-3.46,-10.27,;-3.46,-11.8,;-2.12,-9.5,;-.79,-10.27,;-.79,-11.8,;.54,-12.58,;1.89,-11.81,;3.21,-12.58,;3.21,-14.13,;4.54,-14.89,;1.88,-14.89,;.55,-14.12,;.55,-9.5,;.55,-7.96,;1.88,-10.26,;3.21,-9.5,;3.21,-7.96,;4.54,-7.19,;4.54,-5.65,;5.88,-4.88,;5.88,-3.35,;4.55,-2.58,;7.22,-2.57,;4.54,-10.27,;4.54,-11.81,;5.88,-9.5,;7.22,-10.27,;7.22,-11.82,;8.55,-12.59,;9.96,-11.96,;10.98,-13.11,;10.22,-14.44,;10.68,-15.91,;9.66,-17.06,;8.15,-16.73,;7.67,-15.27,;8.71,-14.12,;8.55,-9.51,;9.89,-10.28,;8.55,-7.98,)| Show InChI InChI=1S/C34H42BrN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	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
Melanocortin receptor 4 (Mus musculus)	BDBM50252900 (Ac-His-DPhe(pBr)-Arg-Trp-NH2 | CHEMBL502093) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(-7.46,-7.95,;-7.46,-9.5,;-8.78,-10.26,;-6.12,-10.26,;-4.79,-9.5,;-4.79,-7.96,;-3.45,-7.18,;-2.05,-7.82,;-1.01,-6.67,;-1.78,-5.34,;-3.29,-5.65,;-3.46,-10.27,;-3.46,-11.8,;-2.12,-9.5,;-.79,-10.27,;-.79,-11.8,;.54,-12.58,;1.89,-11.81,;3.21,-12.58,;3.21,-14.13,;4.54,-14.89,;1.88,-14.89,;.55,-14.12,;.55,-9.5,;.55,-7.96,;1.88,-10.26,;3.21,-9.5,;3.21,-7.96,;4.54,-7.19,;4.54,-5.65,;5.88,-4.88,;5.88,-3.35,;4.55,-2.58,;7.22,-2.57,;4.54,-10.27,;4.54,-11.81,;5.88,-9.5,;7.22,-10.27,;7.22,-11.82,;8.55,-12.59,;9.96,-11.96,;10.98,-13.11,;10.22,-14.44,;10.68,-15.91,;9.66,-17.06,;8.15,-16.73,;7.67,-15.27,;8.71,-14.12,;8.55,-9.51,;9.89,-10.28,;8.55,-7.98,)| Show InChI InChI=1S/C34H42BrN11O5/c1-19(47)43-29(15-23-17-39-18-42-23)33(51)46-28(13-20-8-10-22(35)11-9-20)32(50)44-26(7-4-12-40-34(37)38)31(49)45-27(30(36)48)14-21-16-41-25-6-3-2-5-24(21)25/h2-3,5-6,8-11,16-18,26-29,41H,4,7,12-15H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,37,38,40)/t26-,27-,28+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.07	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R 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