Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50263819'   

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 (Homo sapiens (Human))	BDBM50263819 (CHEMBL4060381) Show SMILES C[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C49H70N18O9S2/c1-26(60-47(76)39(24-78)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52)41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(45(74)66-38(23-77)40(50)69)19-29-21-58-32-13-7-6-12-31(29)32/h3-7,10-13,21-22,25-26,33-39,58,77-78H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi...				J Med Chem 61: 3674-3684 (2018) Article DOI: 10.1021/acs.jmedchem.8b00170 BindingDB Entry DOI: 10.7270/Q2736TCZ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50263819 (CHEMBL4060381) Show SMILES C[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C49H70N18O9S2/c1-26(60-47(76)39(24-78)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52)41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(45(74)66-38(23-77)40(50)69)19-29-21-58-32-13-7-6-12-31(29)32/h3-7,10-13,21-22,25-26,33-39,58,77-78H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>0.0316	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Agonist activity at human MC4R expressed in high doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 15 mins by HT...				J Med Chem 61: 3674-3684 (2018) Article DOI: 10.1021/acs.jmedchem.8b00170 BindingDB Entry DOI: 10.7270/Q2736TCZ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50263819 (CHEMBL4060381) Show SMILES C[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C49H70N18O9S2/c1-26(60-47(76)39(24-78)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52)41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(45(74)66-38(23-77)40(50)69)19-29-21-58-32-13-7-6-12-31(29)32/h3-7,10-13,21-22,25-26,33-39,58,77-78H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Agonist activity at human MC4R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTR...				J Med Chem 61: 3674-3684 (2018) Article DOI: 10.1021/acs.jmedchem.8b00170 BindingDB Entry DOI: 10.7270/Q2736TCZ
					More data for this Ligand-Target Pair