BDBM82440 PACAP(6-31)

SMILES: [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6]

InChI Key: InChIKey=OJDNLNYBECEOMH-SIYHGHSISA-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 = 82440   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
PACAP (RAT)	BDBM82440 (PACAP(6-31)) Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6] |r| Show InChI InChI=1S/C145H231N41O36S/c1-76(2)65-103(123(203)162-73-113(195)166-94(31-18-22-57-146)125(205)169-99(36-27-62-160-144(154)155)130(210)176-105(122(202)158-13)68-85-38-46-89(190)47-39-85)180-141(221)116(79(7)8)185-119(199)81(10)163-118(198)80(9)165-133(213)104(66-77(3)4)175-135(215)107(70-87-42-50-91(192)51-43-87)178-129(209)96(33-20-24-59-148)168-127(207)97(34-21-25-60-149)174-140(220)115(78(5)6)184-120(200)82(11)164-124(204)102(56-64-223-14)173-132(212)101(54-55-112(151)194)172-126(206)95(32-19-23-58-147)167-128(208)98(35-26-61-159-143(152)153)170-134(214)106(69-86-40-48-90(191)49-41-86)177-131(211)100(37-28-63-161-145(156)157)171-138(218)110(74-187)182-136(216)108(71-88-44-52-92(193)53-45-88)179-139(219)111(75-188)183-137(217)109(72-114(196)197)181-142(222)117(83(12)189)186-121(201)93(150)67-84-29-16-15-17-30-84/h15-17,29-30,38-53,76-83,93-111,115-117,187-193H,18-28,31-37,54-75,146-150H2,1-14H3,(H2,151,194)(H,158,202)(H,162,203)(H,163,198)(H,164,204)(H,165,213)(H,166,195)(H,167,208)(H,168,207)(H,169,205)(H,170,214)(H,171,218)(H,172,206)(H,173,212)(H,174,220)(H,175,215)(H,176,210)(H,177,211)(H,178,209)(H,179,219)(H,180,221)(H,181,222)(H,182,216)(H,183,217)(H,184,200)(H,185,199)(H,186,201)(H,196,197)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t80-,81-,82-,83+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,115-,116-,117-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by PDSP Ki Database									Neuropharmacology 33: 1189-95 (1994) Article DOI: 10.1016/s0028-3908(05)80009-7 BindingDB Entry DOI: 10.7270/Q2251GP3
					More data for this Ligand-Target Pair