BDBM50250200 CHEMBL4064777

SMILES: CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)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=HFJSZFWORLLTCG-AXVFINCXSA-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 = 50250200   

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))	BDBM50250200 (CHEMBL4064777) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)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/C48H68N16O9S/c1-27-40(65)58-36(21-28-11-4-3-5-12-28)43(68)56-34(16-10-19-53-48(51)52)42(67)59-37(22-29-24-54-33-15-7-6-13-31(29)33)44(69)60-38(45(70)57-35(47(72)73)17-20-74-2)23-30-25-64(63-62-30)26-39(46(71)55-27)61-41(66)32(50)14-8-9-18-49/h3-7,11-13,15,24-25,27,32,34-39,54H,8-10,14,16-23,26,49-50H2,1-2H3,(H,55,71)(H,56,68)(H,57,70)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H,72,73)(H4,51,52,53)/t27-,32-,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	375	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))	BDBM50250200 (CHEMBL4064777) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)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/C48H68N16O9S/c1-27-40(65)58-36(21-28-11-4-3-5-12-28)43(68)56-34(16-10-19-53-48(51)52)42(67)59-37(22-29-24-54-33-15-7-6-13-31(29)33)44(69)60-38(45(70)57-35(47(72)73)17-20-74-2)23-30-25-64(63-62-30)26-39(46(71)55-27)61-41(66)32(50)14-8-9-18-49/h3-7,11-13,15,24-25,27,32,34-39,54H,8-10,14,16-23,26,49-50H2,1-2H3,(H,55,71)(H,56,68)(H,57,70)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H,72,73)(H4,51,52,53)/t27-,32-,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	2.80	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))	BDBM50250200 (CHEMBL4064777) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)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/C48H68N16O9S/c1-27-40(65)58-36(21-28-11-4-3-5-12-28)43(68)56-34(16-10-19-53-48(51)52)42(67)59-37(22-29-24-54-33-15-7-6-13-31(29)33)44(69)60-38(45(70)57-35(47(72)73)17-20-74-2)23-30-25-64(63-62-30)26-39(46(71)55-27)61-41(66)32(50)14-8-9-18-49/h3-7,11-13,15,24-25,27,32,34-39,54H,8-10,14,16-23,26,49-50H2,1-2H3,(H,55,71)(H,56,68)(H,57,70)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H,72,73)(H4,51,52,53)/t27-,32-,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	633	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))	BDBM50250200 (CHEMBL4064777) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)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/C48H68N16O9S/c1-27-40(65)58-36(21-28-11-4-3-5-12-28)43(68)56-34(16-10-19-53-48(51)52)42(67)59-37(22-29-24-54-33-15-7-6-13-31(29)33)44(69)60-38(45(70)57-35(47(72)73)17-20-74-2)23-30-25-64(63-62-30)26-39(46(71)55-27)61-41(66)32(50)14-8-9-18-49/h3-7,11-13,15,24-25,27,32,34-39,54H,8-10,14,16-23,26,49-50H2,1-2H3,(H,55,71)(H,56,68)(H,57,70)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H,72,73)(H4,51,52,53)/t27-,32-,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	29	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