Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50035195'   

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))	BDBM50035195 (CHEMBL3354726) Show SMILES CCCC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=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)NC1=O)C(N)=O |r| Show InChI InChI=1S/C68H97N17O15/c1-3-4-17-52(79-60(89)41-100-40-59(88)75-26-13-28-98-30-32-99-31-29-97-27-12-25-73-43(2)86)62(91)85-57-37-58(87)74-23-10-9-19-51(61(69)90)80-65(94)55(35-47-38-77-50-18-8-7-16-49(47)50)83-63(92)53(20-11-24-76-68(70)71)81-64(93)54(34-44-21-22-45-14-5-6-15-46(45)33-44)82-66(95)56(84-67(57)96)36-48-39-72-42-78-48/h5-8,14-16,18,21-22,33,38-39,42,51-57,77H,3-4,9-13,17,19-20,23-32,34-37,40-41H2,1-2H3,(H2,69,90)(H,72,78)(H,73,86)(H,74,87)(H,75,88)(H,79,89)(H,80,94)(H,81,93)(H,82,95)(H,83,92)(H,84,96)(H,85,91)(H4,70,71,76)/t51-,52-,53-,54+,55-,56-,57-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-NDP-a-MSH chelate from human melanocortin-4 receptor expressed in HEK293 cells after 1 hr by competitive DELFIA assay				Bioorg Med Chem 22: 6360-5 (2014) Article DOI: 10.1016/j.bmc.2014.09.055 BindingDB Entry DOI: 10.7270/Q2QR4ZQ7
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50035195 (CHEMBL3354726) Show SMILES CCCC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=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)NC1=O)C(N)=O |r| Show InChI InChI=1S/C68H97N17O15/c1-3-4-17-52(79-60(89)41-100-40-59(88)75-26-13-28-98-30-32-99-31-29-97-27-12-25-73-43(2)86)62(91)85-57-37-58(87)74-23-10-9-19-51(61(69)90)80-65(94)55(35-47-38-77-50-18-8-7-16-49(47)50)83-63(92)53(20-11-24-76-68(70)71)81-64(93)54(34-44-21-22-45-14-5-6-15-46(45)33-44)82-66(95)56(84-67(57)96)36-48-39-72-42-78-48/h5-8,14-16,18,21-22,33,38-39,42,51-57,77H,3-4,9-13,17,19-20,23-32,34-37,40-41H2,1-2H3,(H2,69,90)(H,72,78)(H,73,86)(H,74,87)(H,75,88)(H,79,89)(H,80,94)(H,81,93)(H,82,95)(H,83,92)(H,84,96)(H,85,91)(H4,70,71,76)/t51-,52-,53-,54+,55-,56-,57-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-NDP-a-MSH chelate from human melanocortin-4 receptor expressed in HEK293 cells after 1 hr by competitive DELFIA assay				Bioorg Med Chem 22: 6360-5 (2014) Article DOI: 10.1016/j.bmc.2014.09.055 BindingDB Entry DOI: 10.7270/Q2QR4ZQ7
					More data for this Ligand-Target Pair