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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 = 'BDBM50091655'   
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))		BDBM50091655
PNG
(CHEMBL438411 | [Leu31, Pro34]PYY(YPAKPEAPGEDASPEEL...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C191H288N52O57/c1-94(2)75-125(165(277)215-116(28-18-66-204-188(195)196)158(270)231-133(85-109-88-203-93-209-109)171(283)230-132(83-107-43-53-113(251)54-44-107)169(281)224-127(77-96(5)6)167(279)232-134(86-145(194)253)172(284)225-126(76-95(3)4)166(278)226-129(79-98(9)10)173(285)238-152(103(15)247)181(293)222-124(31-21-69-207-191(201)202)185(297)242-73-24-34-142(242)178(290)218-118(30-20-68-206-190(199)200)159(271)234-136(187(299)300)84-108-45-55-114(252)56-46-108)227-175(287)137(90-244)235-154(266)99(11)210-163(275)130(81-105-39-49-111(249)50-40-105)229-170(282)131(82-106-41-51-112(250)52-42-106)228-157(269)117(29-19-67-205-189(197)198)216-174(286)138(91-245)236-168(280)128(78-97(7)8)223-162(274)121(59-63-149(259)260)217-161(273)122(60-64-150(261)262)220-180(292)144-36-26-74-243(144)186(298)139(92-246)237-155(267)100(12)211-164(276)135(87-151(263)264)233-160(272)119(57-61-147(255)256)214-146(254)89-208-176(288)140-32-22-70-239(140)182(294)102(14)213-156(268)120(58-62-148(257)258)219-179(291)143-35-25-72-241(143)184(296)123(27-16-17-65-192)221-153(265)101(13)212-177(289)141-33-23-71-240(141)183(295)115(193)80-104-37-47-110(248)48-38-104/h37-56,88,93-103,115-144,152,244-252H,16-36,57-87,89-92,192-193H2,1-15H3,(H2,194,253)(H,203,209)(H,208,288)(H,210,275)(H,211,276)(H,212,289)(H,213,268)(H,214,254)(H,215,277)(H,216,286)(H,217,273)(H,218,290)(H,219,291)(H,220,292)(H,221,265)(H,222,293)(H,223,274)(H,224,281)(H,225,284)(H,226,278)(H,227,287)(H,228,269)(H,229,282)(H,230,283)(H,231,270)(H,232,279)(H,233,272)(H,234,271)(H,235,266)(H,236,280)(H,237,267)(H,238,285)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,299,300)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t99-,100-,101-,102-,103+,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-,141-,142-,143-,144-,152-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.69n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line

J Med Chem 43: 3420-7 (2000)


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