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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50091679'   
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 2


(Homo sapiens (Human))
BDBM50091679
PNG
(CHEMBL441007 | bis(24/24'){N-alpha-Ac-[Cys24]PYY(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)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](CC(C)C)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)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)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)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C166H264N58O44S2/c1-77(2)57-109(143(251)215-117(67-125(169)237)149(257)209-111(59-79(5)6)151(259)221-127(81(9)10)157(265)223-129(85(15)227)159(267)203-103(29-23-55-191-165(181)182)135(243)201-105(47-49-123(167)235)141(249)197-99(25-19-51-187-161(173)174)137(245)205-107(131(171)239)61-89-31-39-95(231)40-32-89)207-145(253)113(63-91-35-43-97(233)44-36-91)211-147(255)115(65-93-69-185-75-193-93)213-139(247)101(27-21-53-189-163(177)178)199-155(263)121(219-153(261)119(71-225)217-133(241)83(13)195-87(17)229)73-269-270-74-122(220-154(262)120(72-226)218-134(242)84(14)196-88(18)230)156(264)200-102(28-22-54-190-164(179)180)140(248)214-116(66-94-70-186-76-194-94)148(256)212-114(64-92-37-45-98(234)46-38-92)146(254)208-110(58-78(3)4)144(252)216-118(68-126(170)238)150(258)210-112(60-80(7)8)152(260)222-128(82(11)12)158(266)224-130(86(16)228)160(268)204-104(30-24-56-192-166(183)184)136(244)202-106(48-50-124(168)236)142(250)198-100(26-20-52-188-162(175)176)138(246)206-108(132(172)240)62-90-33-41-96(232)42-34-90/h31-46,69-70,75-86,99-122,127-130,225-228,231-234H,19-30,47-68,71-74H2,1-18H3,(H2,167,235)(H2,168,236)(H2,169,237)(H2,170,238)(H2,171,239)(H2,172,240)(H,185,193)(H,186,194)(H,195,229)(H,196,230)(H,197,249)(H,198,250)(H,199,263)(H,200,264)(H,201,243)(H,202,244)(H,203,267)(H,204,268)(H,205,245)(H,206,246)(H,207,253)(H,208,254)(H,209,257)(H,210,258)(H,211,255)(H,212,256)(H,213,247)(H,214,248)(H,215,251)(H,216,252)(H,217,241)(H,218,242)(H,219,261)(H,220,262)(H,221,259)(H,222,260)(H,223,265)(H,224,266)(H4,173,174,187)(H4,175,176,188)(H4,177,178,189)(H4,179,180,190)(H4,181,182,191)(H4,183,184,192)/t83-,84-,85+,86+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,127-,128-,129-,130-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 0.390n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y2 in SK-N-BE2 cell line


J Med Chem 43: 3420-7 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WCX
More data for this
Ligand-Target Pair