Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50131874'   

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))	BDBM50131874 (Ac-c[Cys-Glu-His-D-Nal(2')-Arg-Trp-Gly-Cys]-Pro-Pr...) Show SMILES CC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C74H99N19O17S2/c1-41(94)48-38-111-112-39-57(73(110)93-26-10-18-59(93)62(97)37-92-25-9-17-58(92)61(96)35-82-50(15-6-7-23-75)60(95)34-83-53(66(76)103)31-65(101)102)86-63(98)36-84-68(105)55(29-45-32-81-49-14-5-4-13-47(45)49)90-69(106)51(16-8-24-80-74(77)78)88-71(108)54(28-42-19-20-43-11-2-3-12-44(43)27-42)89-72(109)56(30-46-33-79-40-85-46)91-70(107)52(87-67(48)104)21-22-64(99)100/h2-5,11-14,19-20,27,32-33,40,48,50-59,81-83H,6-10,15-18,21-26,28-31,34-39,75H2,1H3,(H2,76,103)(H,79,85)(H,84,105)(H,86,98)(H,87,104)(H,88,108)(H,89,109)(H,90,106)(H,91,107)(H,99,100)(H,101,102)(H4,77,78,80)/t48-,50-,51-,52+,53-,54-,55+,56-,57-,58-,59-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibitory activity against human melanocortin receptor human Melanocortin 4 receptor was determined				J Med Chem 46: 3728-33 (2003) Article DOI: 10.1021/jm030111j BindingDB Entry DOI: 10.7270/Q2125TDT
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50131874 (Ac-c[Cys-Glu-His-D-Nal(2')-Arg-Trp-Gly-Cys]-Pro-Pr...) Show SMILES CC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C74H99N19O17S2/c1-41(94)48-38-111-112-39-57(73(110)93-26-10-18-59(93)62(97)37-92-25-9-17-58(92)61(96)35-82-50(15-6-7-23-75)60(95)34-83-53(66(76)103)31-65(101)102)86-63(98)36-84-68(105)55(29-45-32-81-49-14-5-4-13-47(45)49)90-69(106)51(16-8-24-80-74(77)78)88-71(108)54(28-42-19-20-43-11-2-3-12-44(43)27-42)89-72(109)56(30-46-33-79-40-85-46)91-70(107)52(87-67(48)104)21-22-64(99)100/h2-5,11-14,19-20,27,32-33,40,48,50-59,81-83H,6-10,15-18,21-26,28-31,34-39,75H2,1H3,(H2,76,103)(H,79,85)(H,84,105)(H,86,98)(H,87,104)(H,88,108)(H,89,109)(H,90,106)(H,91,107)(H,99,100)(H,101,102)(H4,77,78,80)/t48-,50-,51-,52+,53-,54-,55+,56-,57-,58-,59-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity against human Melanocortin-4 receptor				J Med Chem 45: 5287-94 (2002) BindingDB Entry DOI: 10.7270/Q20G3KW8
					More data for this Ligand-Target Pair