Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1125.2 BDBM50232409

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 4 (Mus musculus)	BDBM50232409 (CHEMBL4104402) Show SMILES C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C57H72N16O9/c1-33-48(74)70-44(26-35-15-6-3-7-16-35)55(81)73-24-12-21-47(73)56(82)72-23-11-20-46(72)54(80)69-43(28-37-31-61-32-64-37)52(78)67-41(25-34-13-4-2-5-14-34)50(76)66-40(19-10-22-62-57(59)60)49(75)68-42(51(77)71-45(29-58)53(79)65-33)27-36-30-63-39-18-9-8-17-38(36)39/h2-9,13-18,30-33,40-47,63H,10-12,19-29,58H2,1H3,(H,61,64)(H,65,79)(H,66,76)(H,67,78)(H,68,75)(H,69,80)(H,70,74)(H,71,77)(H4,59,60,62)/t33-,40-,41+,42-,43-,44-,45-,46-,47+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed ...				J Med Chem 60: 805-813 (2017) Article DOI: 10.1021/acs.jmedchem.6b01707 BindingDB Entry DOI: 10.7270/Q2R213MT
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Mus musculus (Mouse))	BDBM50232409 (CHEMBL4104402) Show SMILES C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C57H72N16O9/c1-33-48(74)70-44(26-35-15-6-3-7-16-35)55(81)73-24-12-21-47(73)56(82)72-23-11-20-46(72)54(80)69-43(28-37-31-61-32-64-37)52(78)67-41(25-34-13-4-2-5-14-34)50(76)66-40(19-10-22-62-57(59)60)49(75)68-42(51(77)71-45(29-58)53(79)65-33)27-36-30-63-39-18-9-8-17-38(36)39/h2-9,13-18,30-33,40-47,63H,10-12,19-29,58H2,1H3,(H,61,64)(H,65,79)(H,66,76)(H,67,78)(H,68,75)(H,69,80)(H,70,74)(H,71,77)(H4,59,60,62)/t33-,40-,41+,42-,43-,44-,45-,46-,47+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC5R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed ...				J Med Chem 60: 805-813 (2017) Article DOI: 10.1021/acs.jmedchem.6b01707 BindingDB Entry DOI: 10.7270/Q2R213MT
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50232409 (CHEMBL4104402) Show SMILES C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C57H72N16O9/c1-33-48(74)70-44(26-35-15-6-3-7-16-35)55(81)73-24-12-21-47(73)56(82)72-23-11-20-46(72)54(80)69-43(28-37-31-61-32-64-37)52(78)67-41(25-34-13-4-2-5-14-34)50(76)66-40(19-10-22-62-57(59)60)49(75)68-42(51(77)71-45(29-58)53(79)65-33)27-36-30-63-39-18-9-8-17-38(36)39/h2-9,13-18,30-33,40-47,63H,10-12,19-29,58H2,1H3,(H,61,64)(H,65,79)(H,66,76)(H,67,78)(H,68,75)(H,69,80)(H,70,74)(H,71,77)(H4,59,60,62)/t33-,40-,41+,42-,43-,44-,45-,46-,47+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC3R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed ...				J Med Chem 60: 805-813 (2017) Article DOI: 10.1021/acs.jmedchem.6b01707 BindingDB Entry DOI: 10.7270/Q2R213MT
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50232409 (CHEMBL4104402) Show SMILES C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C57H72N16O9/c1-33-48(74)70-44(26-35-15-6-3-7-16-35)55(81)73-24-12-21-47(73)56(82)72-23-11-20-46(72)54(80)69-43(28-37-31-61-32-64-37)52(78)67-41(25-34-13-4-2-5-14-34)50(76)66-40(19-10-22-62-57(59)60)49(75)68-42(51(77)71-45(29-58)53(79)65-33)27-36-30-63-39-18-9-8-17-38(36)39/h2-9,13-18,30-33,40-47,63H,10-12,19-29,58H2,1H3,(H,61,64)(H,65,79)(H,66,76)(H,67,78)(H,68,75)(H,69,80)(H,70,74)(H,71,77)(H4,59,60,62)/t33-,40-,41+,42-,43-,44-,45-,46-,47+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed ...				J Med Chem 60: 805-813 (2017) Article DOI: 10.1021/acs.jmedchem.6b01707 BindingDB Entry DOI: 10.7270/Q2R213MT
					More data for this Ligand-Target Pair