Found 2 hits Enz. Inhib. hit(s) with Target = 'Pituitary adenylate cyclase-activating polypeptide type I receptor' and Ligand = 'BDBM50250049' 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)) | BDBM50250049
(CHEMBL502619 | [N-Me-Asp3]PACAP38)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)N(C)C(=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](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/C204H333N63O53S/c1-19-110(12)163(262-157(280)100-231-194(314)152(97-159(283)284)267(17)200(320)151(103-270)261-169(289)125(212)94-120-98-225-104-232-120)198(318)257-146(89-115-41-21-20-22-42-115)191(311)266-164(114(16)271)199(319)258-148(96-158(281)282)190(310)260-150(102-269)193(313)254-145(93-119-60-68-124(275)69-61-119)188(308)259-149(101-268)192(312)244-135(52-39-84-228-203(221)222)180(300)252-143(91-117-56-64-122(273)65-57-117)186(306)243-133(50-37-82-226-201(217)218)176(296)238-128(45-25-32-77-207)173(293)246-138(71-73-154(214)277)182(302)247-139(74-86-321-18)171(291)234-113(15)168(288)263-160(107(6)7)195(315)248-131(48-28-35-80-210)175(295)239-130(47-27-34-79-209)177(297)253-144(92-118-58-66-123(274)67-59-118)187(307)250-141(88-106(4)5)184(304)235-111(13)166(286)233-112(14)167(287)264-161(108(8)9)197(317)256-140(87-105(2)3)170(290)230-99-156(279)236-127(44-24-31-76-206)172(292)240-134(51-38-83-227-202(219)220)179(299)251-142(90-116-54-62-121(272)63-55-116)185(305)242-129(46-26-33-78-208)174(294)245-137(70-72-153(213)276)181(301)241-136(53-40-85-229-204(223)224)183(303)265-162(109(10)11)196(316)249-132(49-29-36-81-211)178(298)255-147(95-155(215)278)189(309)237-126(165(216)285)43-23-30-75-205/h20-22,41-42,54-69,98,104-114,125-152,160-164,268-275H,19,23-40,43-53,70-97,99-103,205-212H2,1-18H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,285)(H,225,232)(H,230,290)(H,231,314)(H,233,286)(H,234,291)(H,235,304)(H,236,279)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,315)(H,249,316)(H,250,307)(H,251,299)(H,252,300)(H,253,297)(H,254,313)(H,255,298)(H,256,317)(H,257,318)(H,258,319)(H,259,308)(H,260,310)(H,261,289)(H,262,280)(H,263,288)(H,264,287)(H,265,303)(H,266,311)(H,281,282)(H,283,284)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,160-,161-,162-,163-,164-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.4 | 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)) | BDBM50250049
(CHEMBL502619 | [N-Me-Asp3]PACAP38)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)N(C)C(=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](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/C204H333N63O53S/c1-19-110(12)163(262-157(280)100-231-194(314)152(97-159(283)284)267(17)200(320)151(103-270)261-169(289)125(212)94-120-98-225-104-232-120)198(318)257-146(89-115-41-21-20-22-42-115)191(311)266-164(114(16)271)199(319)258-148(96-158(281)282)190(310)260-150(102-269)193(313)254-145(93-119-60-68-124(275)69-61-119)188(308)259-149(101-268)192(312)244-135(52-39-84-228-203(221)222)180(300)252-143(91-117-56-64-122(273)65-57-117)186(306)243-133(50-37-82-226-201(217)218)176(296)238-128(45-25-32-77-207)173(293)246-138(71-73-154(214)277)182(302)247-139(74-86-321-18)171(291)234-113(15)168(288)263-160(107(6)7)195(315)248-131(48-28-35-80-210)175(295)239-130(47-27-34-79-209)177(297)253-144(92-118-58-66-123(274)67-59-118)187(307)250-141(88-106(4)5)184(304)235-111(13)166(286)233-112(14)167(287)264-161(108(8)9)197(317)256-140(87-105(2)3)170(290)230-99-156(279)236-127(44-24-31-76-206)172(292)240-134(51-38-83-227-202(219)220)179(299)251-142(90-116-54-62-121(272)63-55-116)185(305)242-129(46-26-33-78-208)174(294)245-137(70-72-153(213)276)181(301)241-136(53-40-85-229-204(223)224)183(303)265-162(109(10)11)196(316)249-132(49-29-36-81-211)178(298)255-147(95-155(215)278)189(309)237-126(165(216)285)43-23-30-75-205/h20-22,41-42,54-69,98,104-114,125-152,160-164,268-275H,19,23-40,43-53,70-97,99-103,205-212H2,1-18H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,285)(H,225,232)(H,230,290)(H,231,314)(H,233,286)(H,234,291)(H,235,304)(H,236,279)(H,237,309)(H,238,296)(H,239,295)(H,240,292)(H,241,301)(H,242,305)(H,243,306)(H,244,312)(H,245,294)(H,246,293)(H,247,302)(H,248,315)(H,249,316)(H,250,307)(H,251,299)(H,252,300)(H,253,297)(H,254,313)(H,255,298)(H,256,317)(H,257,318)(H,258,319)(H,259,308)(H,260,310)(H,261,289)(H,262,280)(H,263,288)(H,264,287)(H,265,303)(H,266,311)(H,281,282)(H,283,284)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,160-,161-,162-,163-,164-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 219 | 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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