Found 2 hits Enz. Inhib. hit(s) with Target = 'Pituitary adenylate cyclase-activating polypeptide type I receptor' and Ligand = 'BDBM50250079' 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)) | BDBM50250079
(CHEMBL506840 | [Pro2]PACAP38)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=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/C205H333N63O52S/c1-18-111(12)164(263-158(280)102-232-171(290)149(98-159(281)282)257-195(314)153-54-40-87-268(153)201(320)126(213)96-121-100-226-105-233-121)199(318)259-147(91-116-41-20-19-21-42-116)192(311)267-165(115(16)271)200(319)260-150(99-160(283)284)191(310)262-152(104-270)194(313)255-146(95-120-61-69-125(275)70-62-120)189(308)261-151(103-269)193(312)245-136(52-38-85-229-204(222)223)181(300)253-144(93-118-57-65-123(273)66-58-118)187(306)244-134(50-36-83-227-202(218)219)177(296)239-129(45-24-31-78-208)174(293)247-139(72-74-155(215)277)183(302)248-140(75-88-321-17)172(291)235-114(15)169(288)264-161(108(6)7)196(315)249-132(48-27-34-81-211)176(295)240-131(47-26-33-80-210)178(297)254-145(94-119-59-67-124(274)68-60-119)188(307)251-142(90-107(4)5)185(304)236-112(13)167(286)234-113(14)168(287)265-162(109(8)9)198(317)258-141(89-106(2)3)170(289)231-101-157(279)237-128(44-23-30-77-207)173(292)241-135(51-37-84-228-203(220)221)180(299)252-143(92-117-55-63-122(272)64-56-117)186(305)243-130(46-25-32-79-209)175(294)246-138(71-73-154(214)276)182(301)242-137(53-39-86-230-205(224)225)184(303)266-163(110(10)11)197(316)250-133(49-28-35-82-212)179(298)256-148(97-156(216)278)190(309)238-127(166(217)285)43-22-29-76-206/h19-21,41-42,55-70,100,105-115,126-153,161-165,269-275H,18,22-40,43-54,71-99,101-104,206-213H2,1-17H3,(H2,214,276)(H2,215,277)(H2,216,278)(H2,217,285)(H,226,233)(H,231,289)(H,232,290)(H,234,286)(H,235,291)(H,236,304)(H,237,279)(H,238,309)(H,239,296)(H,240,295)(H,241,292)(H,242,301)(H,243,305)(H,244,306)(H,245,312)(H,246,294)(H,247,293)(H,248,302)(H,249,315)(H,250,316)(H,251,307)(H,252,299)(H,253,300)(H,254,297)(H,255,313)(H,256,298)(H,257,314)(H,258,317)(H,259,318)(H,260,319)(H,261,308)(H,262,310)(H,263,280)(H,264,288)(H,265,287)(H,266,303)(H,267,311)(H,281,282)(H,283,284)(H4,218,219,227)(H4,220,221,228)(H4,222,223,229)(H4,224,225,230)/t111-,112-,113-,114-,115+,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-,153-,161-,162-,163-,164-,165-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | 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)) | BDBM50250079
(CHEMBL506840 | [Pro2]PACAP38)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=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/C205H333N63O52S/c1-18-111(12)164(263-158(280)102-232-171(290)149(98-159(281)282)257-195(314)153-54-40-87-268(153)201(320)126(213)96-121-100-226-105-233-121)199(318)259-147(91-116-41-20-19-21-42-116)192(311)267-165(115(16)271)200(319)260-150(99-160(283)284)191(310)262-152(104-270)194(313)255-146(95-120-61-69-125(275)70-62-120)189(308)261-151(103-269)193(312)245-136(52-38-85-229-204(222)223)181(300)253-144(93-118-57-65-123(273)66-58-118)187(306)244-134(50-36-83-227-202(218)219)177(296)239-129(45-24-31-78-208)174(293)247-139(72-74-155(215)277)183(302)248-140(75-88-321-17)172(291)235-114(15)169(288)264-161(108(6)7)196(315)249-132(48-27-34-81-211)176(295)240-131(47-26-33-80-210)178(297)254-145(94-119-59-67-124(274)68-60-119)188(307)251-142(90-107(4)5)185(304)236-112(13)167(286)234-113(14)168(287)265-162(109(8)9)198(317)258-141(89-106(2)3)170(289)231-101-157(279)237-128(44-23-30-77-207)173(292)241-135(51-37-84-228-203(220)221)180(299)252-143(92-117-55-63-122(272)64-56-117)186(305)243-130(46-25-32-79-209)175(294)246-138(71-73-154(214)276)182(301)242-137(53-39-86-230-205(224)225)184(303)266-163(110(10)11)197(316)250-133(49-28-35-82-212)179(298)256-148(97-156(216)278)190(309)238-127(166(217)285)43-22-29-76-206/h19-21,41-42,55-70,100,105-115,126-153,161-165,269-275H,18,22-40,43-54,71-99,101-104,206-213H2,1-17H3,(H2,214,276)(H2,215,277)(H2,216,278)(H2,217,285)(H,226,233)(H,231,289)(H,232,290)(H,234,286)(H,235,291)(H,236,304)(H,237,279)(H,238,309)(H,239,296)(H,240,295)(H,241,292)(H,242,301)(H,243,305)(H,244,306)(H,245,312)(H,246,294)(H,247,293)(H,248,302)(H,249,315)(H,250,316)(H,251,307)(H,252,299)(H,253,300)(H,254,297)(H,255,313)(H,256,298)(H,257,314)(H,258,317)(H,259,318)(H,260,319)(H,261,308)(H,262,310)(H,263,280)(H,264,288)(H,265,287)(H,266,303)(H,267,311)(H,281,282)(H,283,284)(H4,218,219,227)(H4,220,221,228)(H4,222,223,229)(H4,224,225,230)/t111-,112-,113-,114-,115+,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-,153-,161-,162-,163-,164-,165-/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 | 4.10 | 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 | |
Search and Browse
