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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 5' and Ligand = 'BDBM86027'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Neuropeptide Y receptor type 5


(Chicken)		BDBM86027
PNG
(CAS_0 | NSC_0 | PP, chicken)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CN)C(C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C191H286N54O57/c1-18-96(14)152(239-161(275)112(33-24-64-209-191(204)205)215-163(277)118(69-90(2)3)224-173(287)131(84-149(267)268)234-182(296)151(95(12)13)238-179(293)136-36-27-66-243(136)186(300)97(15)212-162(276)129(82-147(263)264)231-171(285)128(81-146(261)262)213-144(259)87-210-177(291)134-34-26-67-244(134)188(302)132(77-104-44-52-109(252)53-45-104)235-185(299)154(99(17)248)241-180(294)137-37-28-68-245(137)187(301)116(57-61-141(196)256)220-176(290)133(88-246)236-178(292)135-35-25-65-242(135)145(260)85-192)183(297)219-115(56-60-140(195)255)160(274)225-122(74-100-29-20-19-21-30-100)167(281)227-124(76-103-42-50-108(251)51-43-103)168(282)229-126(79-142(197)257)170(284)232-130(83-148(265)266)172(286)223-119(70-91(4)5)164(278)217-113(54-58-138(193)253)158(272)216-114(55-59-139(194)254)159(273)226-123(75-102-40-48-107(250)49-41-102)166(280)222-120(71-92(6)7)165(279)230-127(80-143(198)258)175(289)237-150(94(10)11)181(295)233-121(72-93(8)9)174(288)240-153(98(16)247)184(298)218-111(32-23-63-208-190(202)203)157(271)228-125(78-105-86-206-89-211-105)169(283)214-110(31-22-62-207-189(200)201)156(270)221-117(155(199)269)73-101-38-46-106(249)47-39-101/h19-21,29-30,38-53,86,89-99,110-137,150-154,246-252H,18,22-28,31-37,54-85,87-88,192H2,1-17H3,(H2,193,253)(H2,194,254)(H2,195,255)(H2,196,256)(H2,197,257)(H2,198,258)(H2,199,269)(H,206,211)(H,210,291)(H,212,276)(H,213,259)(H,214,283)(H,215,277)(H,216,272)(H,217,278)(H,218,298)(H,219,297)(H,220,290)(H,221,270)(H,222,280)(H,223,286)(H,224,287)(H,225,274)(H,226,273)(H,227,281)(H,228,271)(H,229,282)(H,230,279)(H,231,285)(H,232,284)(H,233,295)(H,234,296)(H,235,299)(H,236,292)(H,237,289)(H,238,293)(H,239,275)(H,240,288)(H,241,294)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H4,200,201,207)(H4,202,203,208)(H4,204,205,209)/p+1/t96?,97-,98+,99?,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,150-,151-,152-,153-,154-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.68n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




J Neurochem 81: 462-71 (2002)


Article DOI: 10.1046/j.1471-4159.2002.00817.x
BindingDB Entry DOI: 10.7270/Q2T72G1G
More data for this
Ligand-Target Pair