BDBM50250203 CHEMBL4083755

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](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N1)nn2)C(O)=O

InChI Key: InChIKey=BBLWQFDNXHGJOD-NFVVVWSGSA-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 = 50250203   

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))	BDBM50250203 (CHEMBL4083755) 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](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C53H71N17O9S/c1-80-21-18-39(52(78)79)62-49(75)43-26-36-28-70(69-68-36)29-44(67-45(71)37(55)14-7-8-19-54)51(77)66-42(25-35-27-58-30-60-35)50(76)64-40(23-31-10-3-2-4-11-31)47(73)61-38(15-9-20-59-53(56)57)46(72)63-41(48(74)65-43)24-32-16-17-33-12-5-6-13-34(33)22-32/h2-6,10-13,16-17,22,27-28,30,37-44H,7-9,14-15,18-21,23-26,29,54-55H2,1H3,(H,58,60)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,71)(H,78,79)(H4,56,57,59)/t37-,38-,39-,40+,41-,42-,43-,44-/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))	BDBM50250203 (CHEMBL4083755) 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](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C53H71N17O9S/c1-80-21-18-39(52(78)79)62-49(75)43-26-36-28-70(69-68-36)29-44(67-45(71)37(55)14-7-8-19-54)51(77)66-42(25-35-27-58-30-60-35)50(76)64-40(23-31-10-3-2-4-11-31)47(73)61-38(15-9-20-59-53(56)57)46(72)63-41(48(74)65-43)24-32-16-17-33-12-5-6-13-34(33)22-32/h2-6,10-13,16-17,22,27-28,30,37-44H,7-9,14-15,18-21,23-26,29,54-55H2,1H3,(H,58,60)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,71)(H,78,79)(H4,56,57,59)/t37-,38-,39-,40+,41-,42-,43-,44-/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	6.40	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))	BDBM50250203 (CHEMBL4083755) 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](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C53H71N17O9S/c1-80-21-18-39(52(78)79)62-49(75)43-26-36-28-70(69-68-36)29-44(67-45(71)37(55)14-7-8-19-54)51(77)66-42(25-35-27-58-30-60-35)50(76)64-40(23-31-10-3-2-4-11-31)47(73)61-38(15-9-20-59-53(56)57)46(72)63-41(48(74)65-43)24-32-16-17-33-12-5-6-13-34(33)22-32/h2-6,10-13,16-17,22,27-28,30,37-44H,7-9,14-15,18-21,23-26,29,54-55H2,1H3,(H,58,60)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,71)(H,78,79)(H4,56,57,59)/t37-,38-,39-,40+,41-,42-,43-,44-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	722	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))	BDBM50250203 (CHEMBL4083755) 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](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C53H71N17O9S/c1-80-21-18-39(52(78)79)62-49(75)43-26-36-28-70(69-68-36)29-44(67-45(71)37(55)14-7-8-19-54)51(77)66-42(25-35-27-58-30-60-35)50(76)64-40(23-31-10-3-2-4-11-31)47(73)61-38(15-9-20-59-53(56)57)46(72)63-41(48(74)65-43)24-32-16-17-33-12-5-6-13-34(33)22-32/h2-6,10-13,16-17,22,27-28,30,37-44H,7-9,14-15,18-21,23-26,29,54-55H2,1H3,(H,58,60)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,71)(H,78,79)(H4,56,57,59)/t37-,38-,39-,40+,41-,42-,43-,44-/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	89	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