Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 701.7 BDBM50131255

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))	BDBM50131255 ((S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-acetyla...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C34H43N11O6/c35-30(48)26(14-21-16-40-24-10-5-4-9-23(21)24)44-31(49)25(11-6-12-39-34(36)37)43-32(50)27(13-20-7-2-1-3-8-20)45-33(51)28(42-29(47)18-46)15-22-17-38-19-41-22/h1-5,7-10,16-17,19,25-28,40,46H,6,11-15,18H2,(H2,35,48)(H,38,41)(H,42,47)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t25-,26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	125	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))	BDBM50131255 ((S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-acetyla...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C34H43N11O6/c35-30(48)26(14-21-16-40-24-10-5-4-9-23(21)24)44-31(49)25(11-6-12-39-34(36)37)43-32(50)27(13-20-7-2-1-3-8-20)45-33(51)28(42-29(47)18-46)15-22-17-38-19-41-22/h1-5,7-10,16-17,19,25-28,40,46H,6,11-15,18H2,(H2,35,48)(H,38,41)(H,42,47)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t25-,26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	n/a	n/a	n/a	n/a	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
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50131255 ((S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-acetyla...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C34H43N11O6/c35-30(48)26(14-21-16-40-24-10-5-4-9-23(21)24)44-31(49)25(11-6-12-39-34(36)37)43-32(50)27(13-20-7-2-1-3-8-20)45-33(51)28(42-29(47)18-46)15-22-17-38-19-41-22/h1-5,7-10,16-17,19,25-28,40,46H,6,11-15,18H2,(H2,35,48)(H,38,41)(H,42,47)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t25-,26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	630	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 4 (Homo sapiens (Human))	BDBM50131255 ((S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-acetyla...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C34H43N11O6/c35-30(48)26(14-21-16-40-24-10-5-4-9-23(21)24)44-31(49)25(11-6-12-39-34(36)37)43-32(50)27(13-20-7-2-1-3-8-20)45-33(51)28(42-29(47)18-46)15-22-17-38-19-41-22/h1-5,7-10,16-17,19,25-28,40,46H,6,11-15,18H2,(H2,35,48)(H,38,41)(H,42,47)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t25-,26-,27-,28-/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	53	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 (hMC4R)				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))	BDBM50131255 ((S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-acetyla...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C34H43N11O6/c35-30(48)26(14-21-16-40-24-10-5-4-9-23(21)24)44-31(49)25(11-6-12-39-34(36)37)43-32(50)27(13-20-7-2-1-3-8-20)45-33(51)28(42-29(47)18-46)15-22-17-38-19-41-22/h1-5,7-10,16-17,19,25-28,40,46H,6,11-15,18H2,(H2,35,48)(H,38,41)(H,42,47)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t25-,26-,27-,28-/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	7	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))	BDBM50131255 ((S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-acetyla...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C34H43N11O6/c35-30(48)26(14-21-16-40-24-10-5-4-9-23(21)24)44-31(49)25(11-6-12-39-34(36)37)43-32(50)27(13-20-7-2-1-3-8-20)45-33(51)28(42-29(47)18-46)15-22-17-38-19-41-22/h1-5,7-10,16-17,19,25-28,40,46H,6,11-15,18H2,(H2,35,48)(H,38,41)(H,42,47)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t25-,26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	300	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