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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50042810   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50042810
PNG
(CHEMBL437863 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-D-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C191H289N55O57/c1-17-94(9)149(181(297)236-130(82-142(195)256)170(286)228-125(75-93(7)8)173(289)241-150(95(10)18-2)182(298)242-151(101(16)249)183(299)223-117(33-24-68-210-191(204)205)157(273)222-118(58-61-141(194)255)161(277)220-115(31-22-66-208-189(200)201)158(274)225-122(152(197)268)77-103-40-50-109(251)51-41-103)240-174(290)128(80-106-46-56-112(254)57-47-106)231-169(285)129(81-107-87-206-90-211-107)232-160(276)116(32-23-67-209-190(202)203)221-166(282)124(74-92(5)6)226-156(272)97(12)213-175(291)135(88-247)238-168(284)127(79-105-44-54-111(253)55-45-105)230-167(283)126(78-104-42-52-110(252)53-43-104)229-159(275)114(30-21-65-207-188(198)199)217-153(269)96(11)212-164(280)123(73-91(3)4)227-171(287)132(85-147(264)265)234-163(279)120(60-63-145(260)261)219-154(270)98(13)214-177(293)137-34-25-69-243(137)184(300)100(15)216-165(281)131(84-146(262)263)233-162(278)119(59-62-144(258)259)218-155(271)99(14)215-178(294)138-35-27-72-246(138)187(303)134(83-143(196)257)237-172(288)133(86-148(266)267)235-179(295)140-37-28-71-245(140)186(302)121(29-19-20-64-192)224-176(292)136(89-248)239-180(296)139-36-26-70-244(139)185(301)113(193)76-102-38-48-108(250)49-39-102/h38-57,87,90-101,113-140,149-151,247-254H,17-37,58-86,88-89,192-193H2,1-16H3,(H2,194,255)(H2,195,256)(H2,196,257)(H2,197,268)(H,206,211)(H,212,280)(H,213,291)(H,214,293)(H,215,294)(H,216,281)(H,217,269)(H,218,271)(H,219,270)(H,220,277)(H,221,282)(H,222,273)(H,223,299)(H,224,292)(H,225,274)(H,226,272)(H,227,287)(H,228,286)(H,229,275)(H,230,283)(H,231,285)(H,232,276)(H,233,278)(H,234,279)(H,235,295)(H,236,297)(H,237,288)(H,238,284)(H,239,296)(H,240,290)(H,241,289)(H,242,298)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,198,199,207)(H4,200,201,208)(H4,202,203,209)(H4,204,205,210)/t94-,95-,96-,97-,98-,99+,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,149-,150-,151-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.800n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y2 receptor on SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 3802-8 (1994)


BindingDB Entry DOI: 10.7270/Q28K784Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50042810
PNG
(CHEMBL437863 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-D-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C191H289N55O57/c1-17-94(9)149(181(297)236-130(82-142(195)256)170(286)228-125(75-93(7)8)173(289)241-150(95(10)18-2)182(298)242-151(101(16)249)183(299)223-117(33-24-68-210-191(204)205)157(273)222-118(58-61-141(194)255)161(277)220-115(31-22-66-208-189(200)201)158(274)225-122(152(197)268)77-103-40-50-109(251)51-41-103)240-174(290)128(80-106-46-56-112(254)57-47-106)231-169(285)129(81-107-87-206-90-211-107)232-160(276)116(32-23-67-209-190(202)203)221-166(282)124(74-92(5)6)226-156(272)97(12)213-175(291)135(88-247)238-168(284)127(79-105-44-54-111(253)55-45-105)230-167(283)126(78-104-42-52-110(252)53-43-104)229-159(275)114(30-21-65-207-188(198)199)217-153(269)96(11)212-164(280)123(73-91(3)4)227-171(287)132(85-147(264)265)234-163(279)120(60-63-145(260)261)219-154(270)98(13)214-177(293)137-34-25-69-243(137)184(300)100(15)216-165(281)131(84-146(262)263)233-162(278)119(59-62-144(258)259)218-155(271)99(14)215-178(294)138-35-27-72-246(138)187(303)134(83-143(196)257)237-172(288)133(86-148(266)267)235-179(295)140-37-28-71-245(140)186(302)121(29-19-20-64-192)224-176(292)136(89-248)239-180(296)139-36-26-70-244(139)185(301)113(193)76-102-38-48-108(250)49-39-102/h38-57,87,90-101,113-140,149-151,247-254H,17-37,58-86,88-89,192-193H2,1-16H3,(H2,194,255)(H2,195,256)(H2,196,257)(H2,197,268)(H,206,211)(H,212,280)(H,213,291)(H,214,293)(H,215,294)(H,216,281)(H,217,269)(H,218,271)(H,219,270)(H,220,277)(H,221,282)(H,222,273)(H,223,299)(H,224,292)(H,225,274)(H,226,272)(H,227,287)(H,228,286)(H,229,275)(H,230,283)(H,231,285)(H,232,276)(H,233,278)(H,234,279)(H,235,295)(H,236,297)(H,237,288)(H,238,284)(H,239,296)(H,240,290)(H,241,289)(H,242,298)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,198,199,207)(H4,200,201,208)(H4,202,203,209)(H4,204,205,210)/t94-,95-,96-,97-,98-,99+,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,149-,150-,151-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.90n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y1 receptor on SK-N-MC human neuroblastoma cells


J Med Chem 36: 3802-8 (1994)


BindingDB Entry DOI: 10.7270/Q28K784Q
More data for this
Ligand-Target Pair