BDBM50250207 CHEMBL4082585

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](Cc3csc4ccccc34)C(=O)N1)nn2)C(O)=O

InChI Key: InChIKey=IVEOSHRMCGQQLS-XADMHWKFSA-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 = 50250207   

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))	BDBM50250207 (CHEMBL4082585) 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](Cc3csc4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H69N17O9S2/c1-78-19-16-36(50(76)77)60-47(73)40-23-32-25-68(67-66-32)26-41(65-43(69)34(53)13-7-8-17-52)49(75)64-39(22-31-24-56-28-58-31)48(74)61-37(20-29-10-3-2-4-11-29)45(71)59-35(14-9-18-57-51(54)55)44(70)62-38(46(72)63-40)21-30-27-79-42-15-6-5-12-33(30)42/h2-6,10-12,15,24-25,27-28,34-41H,7-9,13-14,16-23,26,52-53H2,1H3,(H,56,58)(H,59,71)(H,60,73)(H,61,74)(H,62,70)(H,63,72)(H,64,75)(H,65,69)(H,76,77)(H4,54,55,57)/t34-,35-,36-,37+,38-,39-,40-,41-/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	64	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))	BDBM50250207 (CHEMBL4082585) 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](Cc3csc4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H69N17O9S2/c1-78-19-16-36(50(76)77)60-47(73)40-23-32-25-68(67-66-32)26-41(65-43(69)34(53)13-7-8-17-52)49(75)64-39(22-31-24-56-28-58-31)48(74)61-37(20-29-10-3-2-4-11-29)45(71)59-35(14-9-18-57-51(54)55)44(70)62-38(46(72)63-40)21-30-27-79-42-15-6-5-12-33(30)42/h2-6,10-12,15,24-25,27-28,34-41H,7-9,13-14,16-23,26,52-53H2,1H3,(H,56,58)(H,59,71)(H,60,73)(H,61,74)(H,62,70)(H,63,72)(H,64,75)(H,65,69)(H,76,77)(H4,54,55,57)/t34-,35-,36-,37+,38-,39-,40-,41-/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	7.60	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 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))	BDBM50250207 (CHEMBL4082585) 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](Cc3csc4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H69N17O9S2/c1-78-19-16-36(50(76)77)60-47(73)40-23-32-25-68(67-66-32)26-41(65-43(69)34(53)13-7-8-17-52)49(75)64-39(22-31-24-56-28-58-31)48(74)61-37(20-29-10-3-2-4-11-29)45(71)59-35(14-9-18-57-51(54)55)44(70)62-38(46(72)63-40)21-30-27-79-42-15-6-5-12-33(30)42/h2-6,10-12,15,24-25,27-28,34-41H,7-9,13-14,16-23,26,52-53H2,1H3,(H,56,58)(H,59,71)(H,60,73)(H,61,74)(H,62,70)(H,63,72)(H,64,75)(H,65,69)(H,76,77)(H4,54,55,57)/t34-,35-,36-,37+,38-,39-,40-,41-/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))	BDBM50250207 (CHEMBL4082585) 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](Cc3csc4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H69N17O9S2/c1-78-19-16-36(50(76)77)60-47(73)40-23-32-25-68(67-66-32)26-41(65-43(69)34(53)13-7-8-17-52)49(75)64-39(22-31-24-56-28-58-31)48(74)61-37(20-29-10-3-2-4-11-29)45(71)59-35(14-9-18-57-51(54)55)44(70)62-38(46(72)63-40)21-30-27-79-42-15-6-5-12-33(30)42/h2-6,10-12,15,24-25,27-28,34-41H,7-9,13-14,16-23,26,52-53H2,1H3,(H,56,58)(H,59,71)(H,60,73)(H,61,74)(H,62,70)(H,63,72)(H,64,75)(H,65,69)(H,76,77)(H4,54,55,57)/t34-,35-,36-,37+,38-,39-,40-,41-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	821	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