Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1009.1 BDBM50211389

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
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50211389 (Ac-Nle4-cyclo(Asp5-His6-D-Tyr(Et)-Pro8-Trp9-Lys10)...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C51H68N12O10/c1-4-6-13-38(56-30(3)64)46(68)59-40-27-44(66)54-21-10-9-15-37(45(52)67)58-47(69)39(25-33-24-32-12-7-8-14-36(32)57-33)60-49(71)42-16-11-22-63(42)51(73)43(23-31-17-19-35(65)20-18-31)62(5-2)50(72)41(61-48(40)70)26-34-28-53-29-55-34/h7-8,12,14,17-20,24,28-29,37-43,57,65H,4-6,9-11,13,15-16,21-23,25-27H2,1-3H3,(H2,52,67)(H,53,55)(H,54,66)(H,56,64)(H,58,69)(H,59,68)(H,60,71)(H,61,70)/t37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50211389 (Ac-Nle4-cyclo(Asp5-His6-D-Tyr(Et)-Pro8-Trp9-Lys10)...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C51H68N12O10/c1-4-6-13-38(56-30(3)64)46(68)59-40-27-44(66)54-21-10-9-15-37(45(52)67)58-47(69)39(25-33-24-32-12-7-8-14-36(32)57-33)60-49(71)42-16-11-22-63(42)51(73)43(23-31-17-19-35(65)20-18-31)62(5-2)50(72)41(61-48(40)70)26-34-28-53-29-55-34/h7-8,12,14,17-20,24,28-29,37-43,57,65H,4-6,9-11,13,15-16,21-23,25-27H2,1-3H3,(H2,52,67)(H,53,55)(H,54,66)(H,56,64)(H,58,69)(H,59,68)(H,60,71)(H,61,70)/t37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b expressed in CHO cells				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50211389 (Ac-Nle4-cyclo(Asp5-His6-D-Tyr(Et)-Pro8-Trp9-Lys10)...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C51H68N12O10/c1-4-6-13-38(56-30(3)64)46(68)59-40-27-44(66)54-21-10-9-15-37(45(52)67)58-47(69)39(25-33-24-32-12-7-8-14-36(32)57-33)60-49(71)42-16-11-22-63(42)51(73)43(23-31-17-19-35(65)20-18-31)62(5-2)50(72)41(61-48(40)70)26-34-28-53-29-55-34/h7-8,12,14,17-20,24,28-29,37-43,57,65H,4-6,9-11,13,15-16,21-23,25-27H2,1-3H3,(H2,52,67)(H,53,55)(H,54,66)(H,56,64)(H,58,69)(H,59,68)(H,60,71)(H,61,70)/t37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDPalphaMSH from human cloned MC3R expressed in CHO cells				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50211389 (Ac-Nle4-cyclo(Asp5-His6-D-Tyr(Et)-Pro8-Trp9-Lys10)...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C51H68N12O10/c1-4-6-13-38(56-30(3)64)46(68)59-40-27-44(66)54-21-10-9-15-37(45(52)67)58-47(69)39(25-33-24-32-12-7-8-14-36(32)57-33)60-49(71)42-16-11-22-63(42)51(73)43(23-31-17-19-35(65)20-18-31)62(5-2)50(72)41(61-48(40)70)26-34-28-53-29-55-34/h7-8,12,14,17-20,24,28-29,37-43,57,65H,4-6,9-11,13,15-16,21-23,25-27H2,1-3H3,(H2,52,67)(H,53,55)(H,54,66)(H,56,64)(H,58,69)(H,59,68)(H,60,71)(H,61,70)/t37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulation				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50211389 (Ac-Nle4-cyclo(Asp5-His6-D-Tyr(Et)-Pro8-Trp9-Lys10)...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C51H68N12O10/c1-4-6-13-38(56-30(3)64)46(68)59-40-27-44(66)54-21-10-9-15-37(45(52)67)58-47(69)39(25-33-24-32-12-7-8-14-36(32)57-33)60-49(71)42-16-11-22-63(42)51(73)43(23-31-17-19-35(65)20-18-31)62(5-2)50(72)41(61-48(40)70)26-34-28-53-29-55-34/h7-8,12,14,17-20,24,28-29,37-43,57,65H,4-6,9-11,13,15-16,21-23,25-27H2,1-3H3,(H2,52,67)(H,53,55)(H,54,66)(H,56,64)(H,58,69)(H,59,68)(H,60,71)(H,61,70)/t37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human melanocortin receptor 1b expressed in CHO cells assessed as cAMP accumulation				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50211389 (Ac-Nle4-cyclo(Asp5-His6-D-Tyr(Et)-Pro8-Trp9-Lys10)...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C51H68N12O10/c1-4-6-13-38(56-30(3)64)46(68)59-40-27-44(66)54-21-10-9-15-37(45(52)67)58-47(69)39(25-33-24-32-12-7-8-14-36(32)57-33)60-49(71)42-16-11-22-63(42)51(73)43(23-31-17-19-35(65)20-18-31)62(5-2)50(72)41(61-48(40)70)26-34-28-53-29-55-34/h7-8,12,14,17-20,24,28-29,37-43,57,65H,4-6,9-11,13,15-16,21-23,25-27H2,1-3H3,(H2,52,67)(H,53,55)(H,54,66)(H,56,64)(H,58,69)(H,59,68)(H,60,71)(H,61,70)/t37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human MC3R expressed in CHO cells assessed as cAMP accumulation				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair