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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 = 'BDBM50042811'   
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))
BDBM50042811
PNG
(CHEMBL127282 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-pro-Gly...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=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](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C189H285N55O57/c1-16-93(9)148(179(295)234-128(80-140(193)254)168(284)226-123(73-92(7)8)171(287)239-149(94(10)17-2)180(296)240-150(99(15)247)181(297)221-114(30-22-65-207-188(200)201)155(271)220-116(55-58-139(192)253)159(275)218-112(28-20-63-205-186(196)197)156(272)223-120(151(195)267)75-101-37-47-107(249)48-38-101)238-172(288)126(78-104-43-53-110(252)54-44-104)229-167(283)127(79-105-85-204-89-210-105)230-157(273)113(29-21-64-206-187(198)199)219-164(280)122(72-91(5)6)224-154(270)96(12)212-173(289)133(87-245)236-166(282)125(77-103-41-51-109(251)52-42-103)228-165(281)124(76-102-39-49-108(250)50-40-102)227-161(277)118(61-66-208-189(202)203)217-152(268)95(11)211-162(278)121(71-90(3)4)225-169(285)130(83-146(263)264)232-160(276)117(57-60-144(259)260)216-153(269)97(13)213-176(292)136-32-24-67-241(136)182(298)98(14)214-163(279)129(82-145(261)262)231-158(274)115(56-59-143(257)258)215-142(256)86-209-175(291)135-31-23-69-243(135)185(301)132(81-141(194)255)235-170(286)131(84-147(265)266)233-177(293)138-34-26-70-244(138)184(300)119(27-18-19-62-190)222-174(290)134(88-246)237-178(294)137-33-25-68-242(137)183(299)111(191)74-100-35-45-106(248)46-36-100/h35-54,85,89-99,111-138,148-150,245-252H,16-34,55-84,86-88,190-191H2,1-15H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,278)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,269)(H,217,268)(H,218,275)(H,219,280)(H,220,271)(H,221,297)(H,222,290)(H,223,272)(H,224,270)(H,225,285)(H,226,284)(H,227,277)(H,228,281)(H,229,283)(H,230,273)(H,231,274)(H,232,276)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,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-,138-,148-,149-,150-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y1 receptor on SK-N-MC human neuroblastoma cells


J Med Chem 36: 3802-8 (1994)


BindingDB Entry DOI: 10.7270/Q28K784Q
More data for this
Ligand-Target Pair