Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50250590'   

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))	BDBM50250590 (CHEMBL4081900) 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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)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/C72H100N16O15/c1-41(2)32-51(86-71(103)61(43(5)6)87-62(94)49(73)34-47-26-28-48(89)29-27-47)63(95)79-40-59(91)88-31-17-25-57(88)70(102)85-55(37-46-22-14-9-15-23-46)68(100)81-52(33-42(3)4)66(98)83-54(36-45-20-12-8-13-21-45)67(99)84-56(38-60(92)93)69(101)80-50(24-16-30-77-72(75)76)65(97)82-53(64(96)78-39-58(74)90)35-44-18-10-7-11-19-44/h7-15,18-23,26-29,41-43,49-57,61,89H,16-17,24-25,30-40,73H2,1-6H3,(H2,74,90)(H,78,96)(H,79,95)(H,80,101)(H,81,100)(H,82,97)(H,83,98)(H,84,99)(H,85,102)(H,86,103)(H,87,94)(H,92,93)(H4,75,76,77)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,61-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	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))	BDBM50250590 (CHEMBL4081900) 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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)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/C72H100N16O15/c1-41(2)32-51(86-71(103)61(43(5)6)87-62(94)49(73)34-47-26-28-48(89)29-27-47)63(95)79-40-59(91)88-31-17-25-57(88)70(102)85-55(37-46-22-14-9-15-23-46)68(100)81-52(33-42(3)4)66(98)83-54(36-45-20-12-8-13-21-45)67(99)84-56(38-60(92)93)69(101)80-50(24-16-30-77-72(75)76)65(97)82-53(64(96)78-39-58(74)90)35-44-18-10-7-11-19-44/h7-15,18-23,26-29,41-43,49-57,61,89H,16-17,24-25,30-40,73H2,1-6H3,(H2,74,90)(H,78,96)(H,79,95)(H,80,101)(H,81,100)(H,82,97)(H,83,98)(H,84,99)(H,85,102)(H,86,103)(H,87,94)(H,92,93)(H4,75,76,77)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,61-/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	>1.00E+3	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