BDBM50250209 CHEMBL4090425

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

InChI Key: InChIKey=QTVHJSADIBWBHL-HQLJFIJGSA-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 = 50250209   

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))	BDBM50250209 (CHEMBL4090425) 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](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H70N16O9S/c1-77-20-17-38(51(75)76)59-48(72)42-24-33-27-67(66-65-33)28-43(64-44(68)35(54)14-7-9-18-52)50(74)63-41(23-32-26-55-29-57-32)49(73)60-39(21-30-11-3-2-4-12-30)46(70)58-37(16-8-10-19-53)45(69)61-40(47(71)62-42)22-31-25-56-36-15-6-5-13-34(31)36/h2-6,11-13,15,25-27,29,35,37-43,56H,7-10,14,16-24,28,52-54H2,1H3,(H,55,57)(H,58,70)(H,59,72)(H,60,73)(H,61,69)(H,62,71)(H,63,74)(H,64,68)(H,75,76)/t35-,37-,38-,39+,40-,41-,42-,43-/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	124	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))	BDBM50250209 (CHEMBL4090425) 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](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H70N16O9S/c1-77-20-17-38(51(75)76)59-48(72)42-24-33-27-67(66-65-33)28-43(64-44(68)35(54)14-7-9-18-52)50(74)63-41(23-32-26-55-29-57-32)49(73)60-39(21-30-11-3-2-4-12-30)46(70)58-37(16-8-10-19-53)45(69)61-40(47(71)62-42)22-31-25-56-36-15-6-5-13-34(31)36/h2-6,11-13,15,25-27,29,35,37-43,56H,7-10,14,16-24,28,52-54H2,1H3,(H,55,57)(H,58,70)(H,59,72)(H,60,73)(H,61,69)(H,62,71)(H,63,74)(H,64,68)(H,75,76)/t35-,37-,38-,39+,40-,41-,42-,43-/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	13	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))	BDBM50250209 (CHEMBL4090425) 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](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H70N16O9S/c1-77-20-17-38(51(75)76)59-48(72)42-24-33-27-67(66-65-33)28-43(64-44(68)35(54)14-7-9-18-52)50(74)63-41(23-32-26-55-29-57-32)49(73)60-39(21-30-11-3-2-4-12-30)46(70)58-37(16-8-10-19-53)45(69)61-40(47(71)62-42)22-31-25-56-36-15-6-5-13-34(31)36/h2-6,11-13,15,25-27,29,35,37-43,56H,7-10,14,16-24,28,52-54H2,1H3,(H,55,57)(H,58,70)(H,59,72)(H,60,73)(H,61,69)(H,62,71)(H,63,74)(H,64,68)(H,75,76)/t35-,37-,38-,39+,40-,41-,42-,43-/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))	BDBM50250209 (CHEMBL4090425) 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](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H70N16O9S/c1-77-20-17-38(51(75)76)59-48(72)42-24-33-27-67(66-65-33)28-43(64-44(68)35(54)14-7-9-18-52)50(74)63-41(23-32-26-55-29-57-32)49(73)60-39(21-30-11-3-2-4-12-30)46(70)58-37(16-8-10-19-53)45(69)61-40(47(71)62-42)22-31-25-56-36-15-6-5-13-34(31)36/h2-6,11-13,15,25-27,29,35,37-43,56H,7-10,14,16-24,28,52-54H2,1H3,(H,55,57)(H,58,70)(H,59,72)(H,60,73)(H,61,69)(H,62,71)(H,63,74)(H,64,68)(H,75,76)/t35-,37-,38-,39+,40-,41-,42-,43-/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