BDBM50126085 CHEMBL384036::MT-II cyclic peptide derivative

SMILES: CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O

InChI Key: InChIKey=PIYXFYPHLODUHH-MVZZTEKNSA-N

Data: 4 IC50  2 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 6 hits for monomerid = 50126085   

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))	BDBM50126085 (CHEMBL384036 | MT-II cyclic peptide derivative) Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand				Bioorg Med Chem Lett 13: 1307-11 (2003) BindingDB Entry DOI: 10.7270/Q21J994C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50126085 (CHEMBL384036 | MT-II cyclic peptide derivative) Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Agonist activity at human melanocortin receptor (hMC4R).				Bioorg Med Chem Lett 13: 1307-11 (2003) BindingDB Entry DOI: 10.7270/Q21J994C
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50126085 (CHEMBL384036 | MT-II cyclic peptide derivative) Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Agonistic activity against human melanocortin receptor (hMC1R) for cAMP accumulation				Bioorg Med Chem Lett 13: 1307-11 (2003) BindingDB Entry DOI: 10.7270/Q21J994C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50126085 (CHEMBL384036 | MT-II cyclic peptide derivative) Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	105	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Agonistic activity against human melanocortin receptor (hMC1R) for cAMP accumulation				Bioorg Med Chem Lett 13: 1307-11 (2003) BindingDB Entry DOI: 10.7270/Q21J994C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50126085 (CHEMBL384036 | MT-II cyclic peptide derivative) Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Agonist activity at human melanocortin receptor (hMC4R).				Bioorg Med Chem Lett 13: 1307-11 (2003) BindingDB Entry DOI: 10.7270/Q21J994C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50126085 (CHEMBL384036 | MT-II cyclic peptide derivative) Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	675	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Agonistic activity against human melanocortin receptor (hMC4R) for cAMP accumulation				Bioorg Med Chem Lett 13: 1307-11 (2003) BindingDB Entry DOI: 10.7270/Q21J994C
					More data for this Ligand-Target Pair