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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM82298'   
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 1


(Homo sapiens (Human))
BDBM82298
PNG
(CAS_59763-91-6 | PP,FROG)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(C)N)C(C)O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C192H276N52O58/c1-15-95(8)152(183(295)240-155(101(14)249)186(298)232-129(75-103-30-20-17-21-31-103)174(286)236-151(94(6)7)182(294)239-154(100(13)248)185(297)221-120(33-23-67-207-192(202)203)188(300)243-70-26-36-139(243)179(291)218-114(32-22-66-206-191(200)201)160(272)222-122(156(199)268)74-102-28-18-16-19-29-102)237-175(287)128(79-107-44-52-113(253)53-45-107)226-163(275)118(57-63-144(197)257)216-167(279)125(76-104-38-46-110(250)47-39-104)227-166(278)124(73-93(4)5)224-173(285)133(84-150(266)267)230-177(289)135(88-245)234-169(281)127(78-106-42-50-112(252)51-43-106)228-168(280)126(77-105-40-48-111(251)49-41-105)225-161(273)116(55-61-142(195)255)214-157(269)97(10)212-165(277)123(72-92(2)3)223-162(274)117(56-62-143(196)256)217-172(284)132(83-149(264)265)229-164(276)119(58-64-145(198)258)219-184(296)153(99(12)247)238-158(270)98(11)211-159(271)115(54-60-141(194)254)215-171(283)131(82-148(262)263)213-146(259)87-208-178(290)137-34-24-69-242(137)190(302)134(81-109-86-205-91-210-109)233-170(282)130(80-108-85-204-90-209-108)231-180(292)140-37-27-71-244(140)189(301)121(59-65-147(260)261)220-176(288)136(89-246)235-181(293)138-35-25-68-241(138)187(299)96(9)193/h16-21,28-31,38-53,85-86,90-101,114-140,151-155,245-253H,15,22-27,32-37,54-84,87-89,193H2,1-14H3,(H2,194,254)(H2,195,255)(H2,196,256)(H2,197,257)(H2,198,258)(H2,199,268)(H,204,209)(H,205,210)(H,208,290)(H,211,271)(H,212,277)(H,213,259)(H,214,269)(H,215,283)(H,216,279)(H,217,284)(H,218,291)(H,219,296)(H,220,288)(H,221,297)(H,222,272)(H,223,274)(H,224,285)(H,225,273)(H,226,275)(H,227,278)(H,228,280)(H,229,276)(H,230,289)(H,231,292)(H,232,298)(H,233,282)(H,234,281)(H,235,293)(H,236,286)(H,237,287)(H,238,270)(H,239,294)(H,240,295)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,200,201,206)(H4,202,203,207)/p+2/t95?,96?,97-,98-,99?,100+,101?,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,151-,152-,153-,154-,155-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
97.7n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26762-5 (1995)


Article DOI: 10.1074/jbc.270.45.26762
BindingDB Entry DOI: 10.7270/Q2K9362H
More data for this
Ligand-Target Pair