BDBM50250182 CHEMBL4077331

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](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O

InChI Key: InChIKey=QSQGOYKCIVYMEN-KHVHFHLBSA-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 = 50250182   

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))	BDBM50250182 (CHEMBL4077331) 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](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C48H63N15O9S/c1-27-41(64)56-37(19-29-22-52-34-14-7-6-12-32(29)34)44(67)58-39(45(68)55-35(48(71)72)15-17-73-2)21-31-24-63(62-61-31)25-40(60-42(65)33(50)13-8-9-16-49)47(70)59-38(20-30-23-51-26-53-30)46(69)57-36(43(66)54-27)18-28-10-4-3-5-11-28/h3-7,10-12,14,22-24,26-27,33,35-40,52H,8-9,13,15-21,25,49-50H2,1-2H3,(H,51,53)(H,54,66)(H,55,68)(H,56,64)(H,57,69)(H,58,67)(H,59,70)(H,60,65)(H,71,72)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/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))	BDBM50250182 (CHEMBL4077331) 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](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C48H63N15O9S/c1-27-41(64)56-37(19-29-22-52-34-14-7-6-12-32(29)34)44(67)58-39(45(68)55-35(48(71)72)15-17-73-2)21-31-24-63(62-61-31)25-40(60-42(65)33(50)13-8-9-16-49)47(70)59-38(20-30-23-51-26-53-30)46(69)57-36(43(66)54-27)18-28-10-4-3-5-11-28/h3-7,10-12,14,22-24,26-27,33,35-40,52H,8-9,13,15-21,25,49-50H2,1-2H3,(H,51,53)(H,54,66)(H,55,68)(H,56,64)(H,57,69)(H,58,67)(H,59,70)(H,60,65)(H,71,72)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	258	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 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 3 (Homo sapiens (Human))	BDBM50250182 (CHEMBL4077331) 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](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C48H63N15O9S/c1-27-41(64)56-37(19-29-22-52-34-14-7-6-12-32(29)34)44(67)58-39(45(68)55-35(48(71)72)15-17-73-2)21-31-24-63(62-61-31)25-40(60-42(65)33(50)13-8-9-16-49)47(70)59-38(20-30-23-51-26-53-30)46(69)57-36(43(66)54-27)18-28-10-4-3-5-11-28/h3-7,10-12,14,22-24,26-27,33,35-40,52H,8-9,13,15-21,25,49-50H2,1-2H3,(H,51,53)(H,54,66)(H,55,68)(H,56,64)(H,57,69)(H,58,67)(H,59,70)(H,60,65)(H,71,72)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250182 (CHEMBL4077331) 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](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C48H63N15O9S/c1-27-41(64)56-37(19-29-22-52-34-14-7-6-12-32(29)34)44(67)58-39(45(68)55-35(48(71)72)15-17-73-2)21-31-24-63(62-61-31)25-40(60-42(65)33(50)13-8-9-16-49)47(70)59-38(20-30-23-51-26-53-30)46(69)57-36(43(66)54-27)18-28-10-4-3-5-11-28/h3-7,10-12,14,22-24,26-27,33,35-40,52H,8-9,13,15-21,25,49-50H2,1-2H3,(H,51,53)(H,54,66)(H,55,68)(H,56,64)(H,57,69)(H,58,67)(H,59,70)(H,60,65)(H,71,72)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	685	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