Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50250585'   

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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50250585 (CHEMBL4104092) Show SMILES CSCC[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/C74H100N22O15S/c1-41(2)62(96-63(102)49(75)30-44-22-24-47(97)25-23-44)72(111)91-53(26-29-112-3)64(103)86-39-60(99)88-57(34-46-37-81-40-87-46)70(109)93-55(32-43-16-8-5-9-17-43)68(107)89-52(21-13-28-83-74(79)80)67(106)94-56(33-45-36-84-50-19-11-10-18-48(45)50)69(108)95-58(35-61(100)101)71(110)90-51(20-12-27-82-73(77)78)66(105)92-54(65(104)85-38-59(76)98)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,84,97H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H2,76,98)(H,81,87)(H,85,104)(H,86,103)(H,88,99)(H,89,107)(H,90,110)(H,91,111)(H,92,105)(H,93,109)(H,94,106)(H,95,108)(H,96,102)(H,100,101)(H4,77,78,82)(H4,79,80,83)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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 MC1R 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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50250585 (CHEMBL4104092) Show SMILES CSCC[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/C74H100N22O15S/c1-41(2)62(96-63(102)49(75)30-44-22-24-47(97)25-23-44)72(111)91-53(26-29-112-3)64(103)86-39-60(99)88-57(34-46-37-81-40-87-46)70(109)93-55(32-43-16-8-5-9-17-43)68(107)89-52(21-13-28-83-74(79)80)67(106)94-56(33-45-36-84-50-19-11-10-18-48(45)50)69(108)95-58(35-61(100)101)71(110)90-51(20-12-27-82-73(77)78)66(105)92-54(65(104)85-38-59(76)98)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,84,97H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H2,76,98)(H,81,87)(H,85,104)(H,86,103)(H,88,99)(H,89,107)(H,90,110)(H,91,111)(H,92,105)(H,93,109)(H,94,106)(H,95,108)(H,96,102)(H,100,101)(H4,77,78,82)(H4,79,80,83)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Agonist activity at human MC1R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation measured after 3 mins				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