BDBM50250210 CHEMBL4087072

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

InChI Key: InChIKey=JDCVOCGVPRXOHD-URAFIAKLSA-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 = 50250210   

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))	BDBM50250210 (CHEMBL4087072) 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](CCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C50H68N16O9S/c1-76-19-16-37(50(74)75)58-47(71)41-23-32-26-66(65-64-32)27-42(63-43(67)34(53)13-7-8-17-51)49(73)62-40(22-31-25-54-28-56-31)48(72)59-38(20-29-10-3-2-4-11-29)45(69)57-36(15-9-18-52)44(68)60-39(46(70)61-41)21-30-24-55-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,55H,7-9,13,15-23,27,51-53H2,1H3,(H,54,56)(H,57,69)(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,73)(H,63,67)(H,74,75)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	730	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))	BDBM50250210 (CHEMBL4087072) 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](CCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C50H68N16O9S/c1-76-19-16-37(50(74)75)58-47(71)41-23-32-26-66(65-64-32)27-42(63-43(67)34(53)13-7-8-17-51)49(73)62-40(22-31-25-54-28-56-31)48(72)59-38(20-29-10-3-2-4-11-29)45(69)57-36(15-9-18-52)44(68)60-39(46(70)61-41)21-30-24-55-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,55H,7-9,13,15-23,27,51-53H2,1H3,(H,54,56)(H,57,69)(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,73)(H,63,67)(H,74,75)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	318	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))	BDBM50250210 (CHEMBL4087072) 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](CCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C50H68N16O9S/c1-76-19-16-37(50(74)75)58-47(71)41-23-32-26-66(65-64-32)27-42(63-43(67)34(53)13-7-8-17-51)49(73)62-40(22-31-25-54-28-56-31)48(72)59-38(20-29-10-3-2-4-11-29)45(69)57-36(15-9-18-52)44(68)60-39(46(70)61-41)21-30-24-55-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,55H,7-9,13,15-23,27,51-53H2,1H3,(H,54,56)(H,57,69)(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,73)(H,63,67)(H,74,75)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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))	BDBM50250210 (CHEMBL4087072) 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](CCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C50H68N16O9S/c1-76-19-16-37(50(74)75)58-47(71)41-23-32-26-66(65-64-32)27-42(63-43(67)34(53)13-7-8-17-51)49(73)62-40(22-31-25-54-28-56-31)48(72)59-38(20-29-10-3-2-4-11-29)45(69)57-36(15-9-18-52)44(68)60-39(46(70)61-41)21-30-24-55-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,55H,7-9,13,15-23,27,51-53H2,1H3,(H,54,56)(H,57,69)(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,73)(H,63,67)(H,74,75)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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