Found 2 hits Enz. Inhib. hit(s) with Target = 'Pituitary adenylate cyclase-activating polypeptide type I receptor' and Ligand = 'BDBM50250021' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Pituitary adenylate cyclase-activating polypeptide type I receptor
(Homo sapiens (Human)) | BDBM50250021
(CHEMBL501487 | [Ala1]PACAP38)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C200H329N61O53S/c1-19-107(12)159(257-153(274)98-226-167(285)144(95-154(275)276)250-190(308)146(99-262)254-162(280)108(13)208)195(313)252-142(89-113-41-21-20-22-42-113)188(306)261-160(112(17)265)196(314)253-145(96-155(277)278)187(305)256-148(101-264)191(309)248-141(93-117-60-68-121(269)69-61-117)185(303)255-147(100-263)189(307)238-131(52-39-84-223-199(217)218)177(295)246-139(91-115-56-64-119(267)65-57-115)183(301)237-129(50-37-82-221-197(213)214)173(291)232-124(45-25-32-77-203)170(288)240-134(71-73-150(210)271)179(297)241-135(74-86-315-18)168(286)228-111(16)165(283)258-156(104(6)7)192(310)242-127(48-28-35-80-206)172(290)233-126(47-27-34-79-205)174(292)247-140(92-116-58-66-120(268)67-59-116)184(302)244-137(88-103(4)5)181(299)229-109(14)163(281)227-110(15)164(282)259-157(105(8)9)194(312)251-136(87-102(2)3)166(284)225-97-152(273)230-123(44-24-31-76-202)169(287)234-130(51-38-83-222-198(215)216)176(294)245-138(90-114-54-62-118(266)63-55-114)182(300)236-125(46-26-33-78-204)171(289)239-133(70-72-149(209)270)178(296)235-132(53-40-85-224-200(219)220)180(298)260-158(106(10)11)193(311)243-128(49-29-36-81-207)175(293)249-143(94-151(211)272)186(304)231-122(161(212)279)43-23-30-75-201/h20-22,41-42,54-69,102-112,122-148,156-160,262-269H,19,23-40,43-53,70-101,201-208H2,1-18H3,(H2,209,270)(H2,210,271)(H2,211,272)(H2,212,279)(H,225,284)(H,226,285)(H,227,281)(H,228,286)(H,229,299)(H,230,273)(H,231,304)(H,232,291)(H,233,290)(H,234,287)(H,235,296)(H,236,300)(H,237,301)(H,238,307)(H,239,289)(H,240,288)(H,241,297)(H,242,310)(H,243,311)(H,244,302)(H,245,294)(H,246,295)(H,247,292)(H,248,309)(H,249,293)(H,250,308)(H,251,312)(H,252,313)(H,253,314)(H,254,280)(H,255,303)(H,256,305)(H,257,274)(H,258,283)(H,259,282)(H,260,298)(H,261,306)(H,275,276)(H,277,278)(H4,213,214,221)(H4,215,216,222)(H4,217,218,223)(H4,219,220,224)/t107-,108-,109-,110-,111-,112+,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-,156-,157-,158-,159-,160-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut National de la Recherche Scientifique
Curated by ChEMBL
| Assay Description
Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter |
J Med Chem 52: 3308-16 (2009)
Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC |
More data for this
Ligand-Target Pair | |
Pituitary adenylate cyclase-activating polypeptide type I receptor
(Homo sapiens (Human)) | BDBM50250021
(CHEMBL501487 | [Ala1]PACAP38)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C200H329N61O53S/c1-19-107(12)159(257-153(274)98-226-167(285)144(95-154(275)276)250-190(308)146(99-262)254-162(280)108(13)208)195(313)252-142(89-113-41-21-20-22-42-113)188(306)261-160(112(17)265)196(314)253-145(96-155(277)278)187(305)256-148(101-264)191(309)248-141(93-117-60-68-121(269)69-61-117)185(303)255-147(100-263)189(307)238-131(52-39-84-223-199(217)218)177(295)246-139(91-115-56-64-119(267)65-57-115)183(301)237-129(50-37-82-221-197(213)214)173(291)232-124(45-25-32-77-203)170(288)240-134(71-73-150(210)271)179(297)241-135(74-86-315-18)168(286)228-111(16)165(283)258-156(104(6)7)192(310)242-127(48-28-35-80-206)172(290)233-126(47-27-34-79-205)174(292)247-140(92-116-58-66-120(268)67-59-116)184(302)244-137(88-103(4)5)181(299)229-109(14)163(281)227-110(15)164(282)259-157(105(8)9)194(312)251-136(87-102(2)3)166(284)225-97-152(273)230-123(44-24-31-76-202)169(287)234-130(51-38-83-222-198(215)216)176(294)245-138(90-114-54-62-118(266)63-55-114)182(300)236-125(46-26-33-78-204)171(289)239-133(70-72-149(209)270)178(296)235-132(53-40-85-224-200(219)220)180(298)260-158(106(10)11)193(311)243-128(49-29-36-81-207)175(293)249-143(94-151(211)272)186(304)231-122(161(212)279)43-23-30-75-201/h20-22,41-42,54-69,102-112,122-148,156-160,262-269H,19,23-40,43-53,70-101,201-208H2,1-18H3,(H2,209,270)(H2,210,271)(H2,211,272)(H2,212,279)(H,225,284)(H,226,285)(H,227,281)(H,228,286)(H,229,299)(H,230,273)(H,231,304)(H,232,291)(H,233,290)(H,234,287)(H,235,296)(H,236,300)(H,237,301)(H,238,307)(H,239,289)(H,240,288)(H,241,297)(H,242,310)(H,243,311)(H,244,302)(H,245,294)(H,246,295)(H,247,292)(H,248,309)(H,249,293)(H,250,308)(H,251,312)(H,252,313)(H,253,314)(H,254,280)(H,255,303)(H,256,305)(H,257,274)(H,258,283)(H,259,282)(H,260,298)(H,261,306)(H,275,276)(H,277,278)(H4,213,214,221)(H4,215,216,222)(H4,217,218,223)(H4,219,220,224)/t107-,108-,109-,110-,111-,112+,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-,156-,157-,158-,159-,160-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Institut National de la Recherche Scientifique
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant PAC1 receptor expressed in CHO cells assessed as PACAP38-induced calcium mobilization by FLIPR assay |
J Med Chem 52: 3308-16 (2009)
Article DOI: 10.1021/jm900291j
BindingDB Entry DOI: 10.7270/Q29023PC |
More data for this
Ligand-Target Pair | |
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