BDBM50250204 CHEMBL4060937

SMILES: CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O

InChI Key: InChIKey=ZKGKAWDFTFXALM-LOBLSJISSA-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 = 50250204   

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))	BDBM50250204 (CHEMBL4060937) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H64N18O8S/c1-75-18-15-34(46(73)74)59-43(70)38-22-30-25-66(65-64-30)39(14-8-17-55-48(51)52)45(72)63-37(21-29-24-53-26-57-29)44(71)60-35(19-27-9-3-2-4-10-27)41(68)58-33(13-7-16-54-47(49)50)40(67)61-36(42(69)62-38)20-28-23-56-32-12-6-5-11-31(28)32/h2-6,9-12,23-26,33-39,56H,7-8,13-22H2,1H3,(H,53,57)(H,58,68)(H,59,70)(H,60,71)(H,61,67)(H,62,69)(H,63,72)(H,73,74)(H4,49,50,54)(H4,51,52,55)/t33-,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	916	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))	BDBM50250204 (CHEMBL4060937) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H64N18O8S/c1-75-18-15-34(46(73)74)59-43(70)38-22-30-25-66(65-64-30)39(14-8-17-55-48(51)52)45(72)63-37(21-29-24-53-26-57-29)44(71)60-35(19-27-9-3-2-4-10-27)41(68)58-33(13-7-16-54-47(49)50)40(67)61-36(42(69)62-38)20-28-23-56-32-12-6-5-11-31(28)32/h2-6,9-12,23-26,33-39,56H,7-8,13-22H2,1H3,(H,53,57)(H,58,68)(H,59,70)(H,60,71)(H,61,67)(H,62,69)(H,63,72)(H,73,74)(H4,49,50,54)(H4,51,52,55)/t33-,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	3.20	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 4 (Homo sapiens (Human))	BDBM50250204 (CHEMBL4060937) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H64N18O8S/c1-75-18-15-34(46(73)74)59-43(70)38-22-30-25-66(65-64-30)39(14-8-17-55-48(51)52)45(72)63-37(21-29-24-53-26-57-29)44(71)60-35(19-27-9-3-2-4-10-27)41(68)58-33(13-7-16-54-47(49)50)40(67)61-36(42(69)62-38)20-28-23-56-32-12-6-5-11-31(28)32/h2-6,9-12,23-26,33-39,56H,7-8,13-22H2,1H3,(H,53,57)(H,58,68)(H,59,70)(H,60,71)(H,61,67)(H,62,69)(H,63,72)(H,73,74)(H4,49,50,54)(H4,51,52,55)/t33-,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	9.60	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))	BDBM50250204 (CHEMBL4060937) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H64N18O8S/c1-75-18-15-34(46(73)74)59-43(70)38-22-30-25-66(65-64-30)39(14-8-17-55-48(51)52)45(72)63-37(21-29-24-53-26-57-29)44(71)60-35(19-27-9-3-2-4-10-27)41(68)58-33(13-7-16-54-47(49)50)40(67)61-36(42(69)62-38)20-28-23-56-32-12-6-5-11-31(28)32/h2-6,9-12,23-26,33-39,56H,7-8,13-22H2,1H3,(H,53,57)(H,58,68)(H,59,70)(H,60,71)(H,61,67)(H,62,69)(H,63,72)(H,73,74)(H4,49,50,54)(H4,51,52,55)/t33-,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	160	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