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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 = 'BDBM85808'   
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))		BDBM85808
PNG
(Des-AA11-18[Cys7,21,D-Lys9 (Ac)]-NPY)
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](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCNC(C)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)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/C163H253N49O46S2/c1-13-82(7)127(154(253)202-112(71-123(167)222)144(243)196-108(65-81(5)6)146(245)208-128(83(8)14-2)155(254)209-129(86(11)215)156(255)192-102(31-22-60-182-163(175)176)134(233)189-103(51-53-122(166)221)138(237)187-100(29-20-58-180-161(171)172)135(234)194-106(130(168)229)67-89-37-45-94(218)46-38-89)207-147(246)110(69-91-41-49-96(220)50-42-91)198-143(242)111(70-92-74-177-79-183-92)199-137(236)101(30-21-59-181-162(173)174)188-141(240)107(64-80(3)4)195-132(231)85(10)185-148(247)115(75-213)203-150(249)117(77-259)205-142(241)109(68-90-39-47-95(219)48-40-90)197-136(235)99(28-19-57-179-160(169)170)186-131(230)84(9)184-140(239)113(72-125(225)226)200-139(238)104(52-54-124(223)224)190-133(232)98(26-16-18-56-178-87(12)216)191-151(250)120-33-25-63-212(120)159(258)118(78-260)206-145(244)114(73-126(227)228)201-152(251)121-34-24-62-211(121)158(257)105(27-15-17-55-164)193-149(248)116(76-214)204-153(252)119-32-23-61-210(119)157(256)97(165)66-88-35-43-93(217)44-36-88/h35-50,74,79-86,97-121,127-129,213-215,217-220,259-260H,13-34,51-73,75-78,164-165H2,1-12H3,(H2,166,221)(H2,167,222)(H2,168,229)(H,177,183)(H,178,216)(H,184,239)(H,185,247)(H,186,230)(H,187,237)(H,188,240)(H,189,233)(H,190,232)(H,191,250)(H,192,255)(H,193,248)(H,194,234)(H,195,231)(H,196,243)(H,197,235)(H,198,242)(H,199,236)(H,200,238)(H,201,251)(H,202,253)(H,203,249)(H,204,252)(H,205,241)(H,206,244)(H,207,246)(H,208,245)(H,209,254)(H,223,224)(H,225,226)(H,227,228)(H4,169,170,179)(H4,171,172,180)(H4,173,174,181)(H4,175,176,182)/t82-,83-,84-,85-,86+,97-,98?,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,127-,128-,129-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 60: 534-40 (2001)


BindingDB Entry DOI: 10.7270/Q2BC3X35
More data for this
Ligand-Target Pair