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BDBM81825 PACAP(1-23),VIP(24-28)

SMILES: CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)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](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(N)=O

InChI Key: InChIKey=QPNADIJVGRXMHQ-PJBALYCQSA-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 = 81825   
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


(RAT)		BDBM81825
PNG
(PACAP(1-23),VIP(24-28))
Show SMILES CCC(C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)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](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(N)=O |r|
Show InChI InChI=1S/C148H233N43O43S/c1-14-76(9)117(187-112(203)67-164-123(211)94(47-49-113(204)205)171-138(226)105(68-192)183-122(210)88(152)62-84-66-161-72-165-84)144(232)181-102(58-80-27-17-16-18-28-80)137(225)191-119(79(12)196)146(234)182-104(65-114(206)207)136(224)185-107(70-194)140(228)179-101(61-83-38-44-87(199)45-39-83)134(222)184-106(69-193)139(227)170-93(33-26-55-163-148(159)160)129(217)177-99(59-81-34-40-85(197)41-35-81)132(220)169-92(32-25-54-162-147(157)158)127(215)167-89(29-19-22-51-149)125(213)172-95(46-48-109(153)200)130(218)173-96(50-56-235-13)124(212)166-78(11)121(209)188-115(74(5)6)142(230)174-91(31-21-24-53-151)126(214)168-90(30-20-23-52-150)128(216)178-100(60-82-36-42-86(198)43-37-82)133(221)176-98(57-73(3)4)131(219)180-103(64-111(155)202)135(223)186-108(71-195)141(229)190-118(77(10)15-2)145(233)189-116(75(7)8)143(231)175-97(120(156)208)63-110(154)201/h16-18,27-28,34-45,66,72-79,88-108,115-119,192-199H,14-15,19-26,29-33,46-65,67-71,149-152H2,1-13H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,161,165)(H,164,211)(H,166,212)(H,167,215)(H,168,214)(H,169,220)(H,170,227)(H,171,226)(H,172,213)(H,173,218)(H,174,230)(H,175,231)(H,176,221)(H,177,217)(H,178,216)(H,179,228)(H,180,219)(H,181,232)(H,182,234)(H,183,210)(H,184,222)(H,185,224)(H,186,223)(H,187,203)(H,188,209)(H,189,233)(H,190,229)(H,191,225)(H,204,205)(H,206,207)(H4,157,158,162)(H4,159,160,163)/t76?,77?,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-,119-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.10n/an/an/an/an/an/an/an/a



Georg-August-University

Curated by PDSP Ki Database




Eur J Biochem 202: 951-8 (1991)


Article DOI: 10.1111/j.1432-1033.1991.tb16455.x
BindingDB Entry DOI: 10.7270/Q2PR7TG8
More data for this
Ligand-Target Pair