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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galanin receptor type 2' and Ligand = 'BDBM85163'   
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
Galanin receptor type 2


(RAT)		BDBM85163
PNG
(GMAP (1-41))
Show SMILES CCC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](N)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O |@@:104|
Show InChI InChI=1S/C206H327N57O63S/c1-24-107(15)163(199(322)242-123(53-40-77-221-205(215)216)183(306)261-165(114(22)265)201(324)260-164(108(16)25-2)200(323)243-130(73-81-327-23)182(305)237-128(62-70-157(277)278)179(302)253-141(90-117-48-33-28-34-49-117)191(314)250-134(83-102(5)6)184(307)231-112(20)170(293)247-140(89-116-46-31-27-32-47-116)190(313)251-138(87-106(13)14)188(311)254-142(91-118-95-219-100-226-118)192(315)252-137(86-105(11)12)185(308)234-121(51-36-38-75-208)176(299)236-126(60-68-155(273)274)174(297)228-109(17)167(290)224-98-152(269)227-110(18)168(291)246-133(166(212)289)82-101(3)4)259-171(294)113(21)230-173(296)120(50-35-37-74-207)233-193(316)143(92-160(283)284)255-178(301)124(58-65-149(210)266)240-196(319)146(99-264)258-181(304)125(59-66-150(211)267)238-186(309)136(85-104(9)10)249-177(300)122(52-39-76-220-204(213)214)235-194(317)145(94-162(287)288)257-189(312)139(88-115-44-29-26-30-45-115)232-153(270)97-223-151(268)96-225-197(320)147-55-42-79-262(147)202(325)131(54-41-78-222-206(217)218)244-169(292)111(19)229-175(298)127(61-69-156(275)276)239-195(318)144(93-161(285)286)256-180(303)129(63-71-158(279)280)241-198(321)148-56-43-80-263(148)203(326)132(64-72-159(281)282)245-187(310)135(84-103(7)8)248-172(295)119(209)57-67-154(271)272/h26-34,44-49,95,100-114,119-148,163-165,264-265H,24-25,35-43,50-94,96-99,207-209H2,1-23H3,(H2,210,266)(H2,211,267)(H2,212,289)(H,219,226)(H,223,268)(H,224,290)(H,225,320)(H,227,269)(H,228,297)(H,229,298)(H,230,296)(H,231,307)(H,232,270)(H,233,316)(H,234,308)(H,235,317)(H,236,299)(H,237,305)(H,238,309)(H,239,318)(H,240,319)(H,241,321)(H,242,322)(H,243,323)(H,244,292)(H,245,310)(H,246,291)(H,247,293)(H,248,295)(H,249,300)(H,250,314)(H,251,313)(H,252,315)(H,253,302)(H,254,311)(H,255,301)(H,256,303)(H,257,312)(H,258,304)(H,259,294)(H,260,324)(H,261,306)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H4,213,214,220)(H4,215,216,221)(H4,217,218,222)/t107?,108?,109-,110-,111-,112-,113-,114?,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+,145+,146-,147?,148-,163-,164-,165-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 840n/an/an/an/an/an/an/an/a



The Schering-Plough Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 52: 337-43 (1997)


Article DOI: 10.1124/mol.52.3.337
BindingDB Entry DOI: 10.7270/Q23T9FRG
More data for this
Ligand-Target Pair