BDBM50250199 CHEMBL4092477

SMILES: CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O

InChI Key: InChIKey=JGUGXIKVXQITCF-NQDQSAFWSA-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 = 50250199   

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 (M4 and M5) (Homo sapiens (Human))	BDBM50250199 (CHEMBL4092477) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C45H66N18O9S/c1-24-37(64)55-31(11-7-14-51-45(48)49)39(66)57-33(16-25-19-52-30-10-4-3-8-28(25)30)41(68)58-35(42(69)56-32(44(71)72)12-15-73-2)18-27-21-63(62-61-27)22-36(60-38(65)29(47)9-5-6-13-46)43(70)59-34(40(67)54-24)17-26-20-50-23-53-26/h3-4,8,10,19-21,23-24,29,31-36,52H,5-7,9,11-18,22,46-47H2,1-2H3,(H,50,53)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,65)(H,71,72)(H4,48,49,51)/t24-,29+,31+,32+,33+,34+,35+,36+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250199 (CHEMBL4092477) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C45H66N18O9S/c1-24-37(64)55-31(11-7-14-51-45(48)49)39(66)57-33(16-25-19-52-30-10-4-3-8-28(25)30)41(68)58-35(42(69)56-32(44(71)72)12-15-73-2)18-27-21-63(62-61-27)22-36(60-38(65)29(47)9-5-6-13-46)43(70)59-34(40(67)54-24)17-26-20-50-23-53-26/h3-4,8,10,19-21,23-24,29,31-36,52H,5-7,9,11-18,22,46-47H2,1-2H3,(H,50,53)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,65)(H,71,72)(H4,48,49,51)/t24-,29+,31+,32+,33+,34+,35+,36+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	943	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250199 (CHEMBL4092477) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C45H66N18O9S/c1-24-37(64)55-31(11-7-14-51-45(48)49)39(66)57-33(16-25-19-52-30-10-4-3-8-28(25)30)41(68)58-35(42(69)56-32(44(71)72)12-15-73-2)18-27-21-63(62-61-27)22-36(60-38(65)29(47)9-5-6-13-46)43(70)59-34(40(67)54-24)17-26-20-50-23-53-26/h3-4,8,10,19-21,23-24,29,31-36,52H,5-7,9,11-18,22,46-47H2,1-2H3,(H,50,53)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,65)(H,71,72)(H4,48,49,51)/t24-,29+,31+,32+,33+,34+,35+,36+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50250199 (CHEMBL4092477) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C45H66N18O9S/c1-24-37(64)55-31(11-7-14-51-45(48)49)39(66)57-33(16-25-19-52-30-10-4-3-8-28(25)30)41(68)58-35(42(69)56-32(44(71)72)12-15-73-2)18-27-21-63(62-61-27)22-36(60-38(65)29(47)9-5-6-13-46)43(70)59-34(40(67)54-24)17-26-20-50-23-53-26/h3-4,8,10,19-21,23-24,29,31-36,52H,5-7,9,11-18,22,46-47H2,1-2H3,(H,50,53)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,65)(H,71,72)(H4,48,49,51)/t24-,29+,31+,32+,33+,34+,35+,36+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair