Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 711.8 BDBM50131242

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

Found 6 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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50131242 (CHEMBL329586 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description Binding affinity towards human Melanocortin 1 receptor (hMC1R)				Bioorg Med Chem Lett 13: 2647-50 (2003) BindingDB Entry DOI: 10.7270/Q2474BD9
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50131242 (CHEMBL329586 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 4 receptor (hMC4R)				Bioorg Med Chem Lett 13: 2647-50 (2003) BindingDB Entry DOI: 10.7270/Q2474BD9
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50131242 (CHEMBL329586 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description Binding affinity towards human Melanocortin 3 receptor (hMC3R)				Bioorg Med Chem Lett 13: 2647-50 (2003) BindingDB Entry DOI: 10.7270/Q2474BD9
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50131242 (CHEMBL329586 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 4 receptor (hMC4R)				Bioorg Med Chem Lett 13: 2647-50 (2003) BindingDB Entry DOI: 10.7270/Q2474BD9
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50131242 (CHEMBL329586 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/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	21	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC3R)				Bioorg Med Chem Lett 13: 2647-50 (2003) BindingDB Entry DOI: 10.7270/Q2474BD9
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50131242 (CHEMBL329586 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/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	3.5	n/a	n/a	n/a	n/a
University of Cincinnati Curated by ChEMBL					Assay Description In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)				Bioorg Med Chem Lett 13: 2647-50 (2003) BindingDB Entry DOI: 10.7270/Q2474BD9
					More data for this Ligand-Target Pair