Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50250591'   

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))	BDBM50250591 (CHEMBL4072387) Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)CN[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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C77H111N21O18S/c1-43(2)65(66(79)106)97-75(115)62-20-13-30-98(62)76(116)55(18-10-11-28-78)90-63(103)39-86-67(107)59(34-47-36-84-52-17-9-8-16-51(47)52)95-69(109)53(19-12-29-83-77(80)81)91-71(111)57(32-45-14-6-5-7-15-45)93-70(110)56(35-49-37-82-42-87-49)85-38-48(23-26-64(104)105)89-68(108)54(27-31-117-4)92-74(114)61(41-100)96-72(112)58(33-46-21-24-50(102)25-22-46)94-73(113)60(40-99)88-44(3)101/h5-9,14-17,21-22,24-25,36-37,42-43,48,53-62,65,84-85,99-100,102H,10-13,18-20,23,26-35,38-41,78H2,1-4H3,(H2,79,106)(H,82,87)(H,86,107)(H,88,101)(H,89,108)(H,90,103)(H,91,111)(H,92,114)(H,93,110)(H,94,113)(H,95,109)(H,96,112)(H,97,115)(H,104,105)(H4,80,81,83)/t48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method				J Med Chem 60: 9320-9329 (2017) Article DOI: 10.1021/acs.jmedchem.7b01295 BindingDB Entry DOI: 10.7270/Q2XG9TJB
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250591 (CHEMBL4072387) Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)CN[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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C77H111N21O18S/c1-43(2)65(66(79)106)97-75(115)62-20-13-30-98(62)76(116)55(18-10-11-28-78)90-63(103)39-86-67(107)59(34-47-36-84-52-17-9-8-16-51(47)52)95-69(109)53(19-12-29-83-77(80)81)91-71(111)57(32-45-14-6-5-7-15-45)93-70(110)56(35-49-37-82-42-87-49)85-38-48(23-26-64(104)105)89-68(108)54(27-31-117-4)92-74(114)61(41-100)96-72(112)58(33-46-21-24-50(102)25-22-46)94-73(113)60(40-99)88-44(3)101/h5-9,14-17,21-22,24-25,36-37,42-43,48,53-62,65,84-85,99-100,102H,10-13,18-20,23,26-35,38-41,78H2,1-4H3,(H2,79,106)(H,82,87)(H,86,107)(H,88,101)(H,89,108)(H,90,103)(H,91,111)(H,92,114)(H,93,110)(H,94,113)(H,95,109)(H,96,112)(H,97,115)(H,104,105)(H4,80,81,83)/t48-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method				J Med Chem 60: 9320-9329 (2017) Article DOI: 10.1021/acs.jmedchem.7b01295 BindingDB Entry DOI: 10.7270/Q2XG9TJB
					More data for this Ligand-Target Pair