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BDBM81525 [AcHis1,Phe2]PACAP(1-38)

SMILES: CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=GVCAWIZJVWWIMU-DYTMDDCZSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 81525   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PACAP


(Homo sapiens (Human))
BDBM81525
PNG
([AcHis1,Phe2]PACAP(1-38))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C211H337N63O53S/c1-19-115(12)170(270-164(287)106-237-177(297)156(102-165(288)289)264-195(315)148(94-121-44-22-20-23-45-121)261-197(317)154(242-120(17)278)100-127-104-231-109-238-127)206(326)266-153(95-122-46-24-21-25-47-122)200(320)274-171(119(16)277)207(327)267-157(103-166(290)291)199(319)269-159(108-276)202(322)262-152(99-126-65-73-131(282)74-66-126)196(316)268-158(107-275)201(321)251-141(57-42-89-234-210(227)228)187(307)259-150(97-124-61-69-129(280)70-62-124)193(313)250-139(55-40-87-232-208(223)224)183(303)245-134(50-28-35-82-214)180(300)253-144(76-78-161(220)284)189(309)254-145(79-91-328-18)178(298)240-118(15)175(295)271-167(112(6)7)203(323)255-137(53-31-38-85-217)182(302)246-136(52-30-37-84-216)184(304)260-151(98-125-63-71-130(281)72-64-125)194(314)257-147(93-111(4)5)191(311)241-116(13)173(293)239-117(14)174(294)272-168(113(8)9)205(325)265-146(92-110(2)3)176(296)236-105-163(286)243-133(49-27-34-81-213)179(299)247-140(56-41-88-233-209(225)226)186(306)258-149(96-123-59-67-128(279)68-60-123)192(312)249-135(51-29-36-83-215)181(301)252-143(75-77-160(219)283)188(308)248-142(58-43-90-235-211(229)230)190(310)273-169(114(10)11)204(324)256-138(54-32-39-86-218)185(305)263-155(101-162(221)285)198(318)244-132(172(222)292)48-26-33-80-212/h20-25,44-47,59-74,104,109-119,132-159,167-171,275-277,279-282H,19,26-43,48-58,75-103,105-108,212-218H2,1-18H3,(H2,219,283)(H2,220,284)(H2,221,285)(H2,222,292)(H,231,238)(H,236,296)(H,237,297)(H,239,293)(H,240,298)(H,241,311)(H,242,278)(H,243,286)(H,244,318)(H,245,303)(H,246,302)(H,247,299)(H,248,308)(H,249,312)(H,250,313)(H,251,321)(H,252,301)(H,253,300)(H,254,309)(H,255,323)(H,256,324)(H,257,314)(H,258,306)(H,259,307)(H,260,304)(H,261,317)(H,262,322)(H,263,305)(H,264,315)(H,265,325)(H,266,326)(H,267,327)(H,268,316)(H,269,319)(H,270,287)(H,271,295)(H,272,294)(H,273,310)(H,274,320)(H,288,289)(H,290,291)(H4,223,224,232)(H4,225,226,233)(H4,227,228,234)(H4,229,230,235)/t115?,116-,117-,118-,119+,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,167-,168-,169-,170-,171-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Eur J Biochem 207: 239-46 (1992)


Article DOI: 10.1111/j.1432-1033.1992.tb17043.x
BindingDB Entry DOI: 10.7270/Q2WM1BW2
More data for this
Ligand-Target Pair