Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50049742'   

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
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50049742 (CHEMBL265426 | NPY-analogs) Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C130H192N38O26S2/c1-11-23-87(111(179)153-91(31-21-51-147-129(141)142)115(183)157-93(107(135)175)57-73-37-45-79(171)46-38-73)151-113(181)89(29-19-49-145-127(137)138)155-119(187)97(59-75-63-149-85-27-17-15-25-81(75)85)161-123(191)101(165-117(185)95(53-67(5)6)159-121(189)99(61-103(133)173)163-125(193)105(69(9)13-3)167-109(177)83(131)55-71-33-41-77(169)42-34-71)65-195-196-66-102(166-118(186)96(54-68(7)8)160-122(190)100(62-104(134)174)164-126(194)106(70(10)14-4)168-110(178)84(132)56-72-35-43-78(170)44-36-72)124(192)162-98(60-76-64-150-86-28-18-16-26-82(76)86)120(188)156-90(30-20-50-146-128(139)140)114(182)152-88(24-12-2)112(180)154-92(32-22-52-148-130(143)144)116(184)158-94(108(136)176)58-74-39-47-80(172)48-40-74/h15-18,25-28,33-48,63-64,67-70,83-84,87-102,105-106,149-150,169-172H,11-14,19-24,29-32,49-62,65-66,131-132H2,1-10H3,(H2,133,173)(H2,134,174)(H2,135,175)(H2,136,176)(H,151,181)(H,152,182)(H,153,179)(H,154,180)(H,155,187)(H,156,188)(H,157,183)(H,158,184)(H,159,189)(H,160,190)(H,161,191)(H,162,192)(H,163,193)(H,164,194)(H,165,185)(H,166,186)(H,167,177)(H,168,178)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)(H4,143,144,148)/t69-,70-,83-,84-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,105-,106-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Medical Center Curated by ChEMBL					Assay Description Compound was tested for the displacement of [125I]-PYY (SK-N-MC) from Neuropeptide Y receptor type 1 in the membranes prepared from cells				J Med Chem 39: 811-3 (1996) Article DOI: 10.1021/jm950811r BindingDB Entry DOI: 10.7270/Q2FB5218
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