Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50250584'   

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))	BDBM50250584 (CHEMBL4090684) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C75H102N22O15/c1-41(2)29-54(96-73(112)63(42(3)4)97-64(103)50(76)30-45-23-25-48(98)26-24-45)65(104)87-39-61(100)89-58(34-47-37-82-40-88-47)71(110)93-56(32-44-17-9-6-10-18-44)69(108)90-53(22-14-28-84-75(80)81)68(107)94-57(33-46-36-85-51-20-12-11-19-49(46)51)70(109)95-59(35-62(101)102)72(111)91-52(21-13-27-83-74(78)79)67(106)92-55(66(105)86-38-60(77)99)31-43-15-7-5-8-16-43/h5-12,15-20,23-26,36-37,40-42,50,52-59,63,85,98H,13-14,21-22,27-35,38-39,76H2,1-4H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,106)(H,93,110)(H,94,107)(H,95,109)(H,96,112)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	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))	BDBM50250584 (CHEMBL4090684) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C75H102N22O15/c1-41(2)29-54(96-73(112)63(42(3)4)97-64(103)50(76)30-45-23-25-48(98)26-24-45)65(104)87-39-61(100)89-58(34-47-37-82-40-88-47)71(110)93-56(32-44-17-9-6-10-18-44)69(108)90-53(22-14-28-84-75(80)81)68(107)94-57(33-46-36-85-51-20-12-11-19-49(46)51)70(109)95-59(35-62(101)102)72(111)91-52(21-13-27-83-74(78)79)67(106)92-55(66(105)86-38-60(77)99)31-43-15-7-5-8-16-43/h5-12,15-20,23-26,36-37,40-42,50,52-59,63,85,98H,13-14,21-22,27-35,38-39,76H2,1-4H3,(H2,77,99)(H,82,88)(H,86,105)(H,87,104)(H,89,100)(H,90,108)(H,91,111)(H,92,106)(H,93,110)(H,94,107)(H,95,109)(H,96,112)(H,97,103)(H,101,102)(H4,78,79,83)(H4,80,81,84)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,63-/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	178	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