BDBM50453139 CHEMBL4205548

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O

InChI Key: InChIKey=SGVATPANUQBIHA-LMOJIFKQSA-N

Data: 4 IC50  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 8 hits for monomerid = 50453139   

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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50453139 (CHEMBL4205548) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human MC1R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation measured after 3 mins				J Med Chem 61: 4263-4269 (2018) Article DOI: 10.1021/acs.jmedchem.8b00488 BindingDB Entry DOI: 10.7270/Q22J6FF7
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50453139 (CHEMBL4205548) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human MC3R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins				J Med Chem 61: 4263-4269 (2018) Article DOI: 10.1021/acs.jmedchem.8b00488 BindingDB Entry DOI: 10.7270/Q22J6FF7
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50453139 (CHEMBL4205548) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method				J Med Chem 61: 4263-4269 (2018) Article DOI: 10.1021/acs.jmedchem.8b00488 BindingDB Entry DOI: 10.7270/Q22J6FF7
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50453139 (CHEMBL4205548) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human MC4R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins				J Med Chem 61: 4263-4269 (2018) Article DOI: 10.1021/acs.jmedchem.8b00488 BindingDB Entry DOI: 10.7270/Q22J6FF7
					More data for this Ligand-Target Pair
Melanocortin receptor (M4 and M5) (Homo sapiens (Human))	BDBM50453139 (CHEMBL4205548) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins				J Med Chem 61: 4263-4269 (2018) Article DOI: 10.1021/acs.jmedchem.8b00488 BindingDB Entry DOI: 10.7270/Q22J6FF7
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50453139 (CHEMBL4205548) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method				J Med Chem 61: 4263-4269 (2018) Article DOI: 10.1021/acs.jmedchem.8b00488 BindingDB Entry DOI: 10.7270/Q22J6FF7
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50453139 (CHEMBL4205548) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method				J Med Chem 61: 4263-4269 (2018) Article DOI: 10.1021/acs.jmedchem.8b00488 BindingDB Entry DOI: 10.7270/Q22J6FF7
					More data for this Ligand-Target Pair
Melanocortin receptor (M4 and M5) (Homo sapiens (Human))	BDBM50453139 (CHEMBL4205548) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r| Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method				J Med Chem 61: 4263-4269 (2018) Article DOI: 10.1021/acs.jmedchem.8b00488 BindingDB Entry DOI: 10.7270/Q22J6FF7
					More data for this Ligand-Target Pair