BDBM50250212 CHEMBL4089119

SMILES: CSCC[C@H](NC(=O)[C@@H]1Cc2cn(CCC[C@H](N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)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=ATCZCKOSFHSQCK-YIZWONDUSA-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 = 50250212   

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 (Homo sapiens (Human))	BDBM50250212 (CHEMBL4089119) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(CCC[C@H](N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)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/C47H62N16O8S/c1-72-18-15-35(46(70)71)56-44(68)39-22-30-25-63(62-61-30)17-8-12-32(48)40(64)57-38(21-29-24-51-26-54-29)45(69)58-36(19-27-9-3-2-4-10-27)42(66)55-34(14-7-16-52-47(49)50)41(65)59-37(43(67)60-39)20-28-23-53-33-13-6-5-11-31(28)33/h2-6,9-11,13,23-26,32,34-39,53H,7-8,12,14-22,48H2,1H3,(H,51,54)(H,55,66)(H,56,68)(H,57,64)(H,58,69)(H,59,65)(H,60,67)(H,70,71)(H4,49,50,52)/t32-,34-,35-,36+,37-,38-,39-/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	720	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))	BDBM50250212 (CHEMBL4089119) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(CCC[C@H](N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)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/C47H62N16O8S/c1-72-18-15-35(46(70)71)56-44(68)39-22-30-25-63(62-61-30)17-8-12-32(48)40(64)57-38(21-29-24-51-26-54-29)45(69)58-36(19-27-9-3-2-4-10-27)42(66)55-34(14-7-16-52-47(49)50)41(65)59-37(43(67)60-39)20-28-23-53-33-13-6-5-11-31(28)33/h2-6,9-11,13,23-26,32,34-39,53H,7-8,12,14-22,48H2,1H3,(H,51,54)(H,55,66)(H,56,68)(H,57,64)(H,58,69)(H,59,65)(H,60,67)(H,70,71)(H4,49,50,52)/t32-,34-,35-,36+,37-,38-,39-/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	185	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 (M4 and M5) (Homo sapiens (Human))	BDBM50250212 (CHEMBL4089119) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(CCC[C@H](N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)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/C47H62N16O8S/c1-72-18-15-35(46(70)71)56-44(68)39-22-30-25-63(62-61-30)17-8-12-32(48)40(64)57-38(21-29-24-51-26-54-29)45(69)58-36(19-27-9-3-2-4-10-27)42(66)55-34(14-7-16-52-47(49)50)41(65)59-37(43(67)60-39)20-28-23-53-33-13-6-5-11-31(28)33/h2-6,9-11,13,23-26,32,34-39,53H,7-8,12,14-22,48H2,1H3,(H,51,54)(H,55,66)(H,56,68)(H,57,64)(H,58,69)(H,59,65)(H,60,67)(H,70,71)(H4,49,50,52)/t32-,34-,35-,36+,37-,38-,39-/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 3 (Homo sapiens (Human))	BDBM50250212 (CHEMBL4089119) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(CCC[C@H](N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)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/C47H62N16O8S/c1-72-18-15-35(46(70)71)56-44(68)39-22-30-25-63(62-61-30)17-8-12-32(48)40(64)57-38(21-29-24-51-26-54-29)45(69)58-36(19-27-9-3-2-4-10-27)42(66)55-34(14-7-16-52-47(49)50)41(65)59-37(43(67)60-39)20-28-23-53-33-13-6-5-11-31(28)33/h2-6,9-11,13,23-26,32,34-39,53H,7-8,12,14-22,48H2,1H3,(H,51,54)(H,55,66)(H,56,68)(H,57,64)(H,58,69)(H,59,65)(H,60,67)(H,70,71)(H4,49,50,52)/t32-,34-,35-,36+,37-,38-,39-/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