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SMILES: CCC(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](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(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(O)=O

InChI Key: InChIKey=LKVFLNHIISTRHC-BSVRDBRCSA-N

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 2 hits for monomerid = 85536   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuropeptide Y receptor type 1


(GUINEA PIG)
BDBM85536
PNG
(PYY, zebrafish)
Show SMILES CCC(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](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(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(O)=O
Show InChI InChI=1S/C194H292N52O57/c1-17-98(9)153(182(293)235-134(88-145(199)255)173(284)229-129(81-97(7)8)175(286)239-154(99(10)18-2)183(294)241-156(105(16)248)185(296)225-121(35-25-73-210-194(205)206)160(271)221-122(61-65-144(198)254)164(275)219-120(34-24-72-209-193(203)204)163(274)237-138(191(302)303)86-110-49-59-116(253)60-50-110)238-176(287)131(84-108-45-55-114(251)56-46-108)232-172(283)133(87-111-92-207-94-212-111)233-162(273)119(33-23-71-208-192(201)202)220-170(281)128(80-96(5)6)227-159(270)102(13)215-184(295)155(104(15)247)240-177(288)132(85-109-47-57-115(252)58-48-109)231-171(282)130(83-107-43-53-113(250)54-44-107)230-161(272)118(31-19-21-69-195)218-158(269)101(12)214-168(279)127(79-95(3)4)228-166(277)123(62-66-148(258)259)222-165(276)124(63-67-149(260)261)223-179(290)140-37-27-74-242(140)186(297)103(14)216-157(268)100(11)213-169(280)136(91-152(266)267)234-174(285)135(90-151(264)265)217-147(257)93-211-178(289)139-36-26-75-243(139)189(300)137(89-146(200)256)236-167(278)125(64-68-150(262)263)224-180(291)141-38-28-76-244(141)188(299)126(32-20-22-70-196)226-181(292)142-39-29-77-245(142)190(301)143-40-30-78-246(143)187(298)117(197)82-106-41-51-112(249)52-42-106/h41-60,92,94-105,117-143,153-156,247-253H,17-40,61-91,93,195-197H2,1-16H3,(H2,198,254)(H2,199,255)(H2,200,256)(H,207,212)(H,211,289)(H,213,280)(H,214,279)(H,215,295)(H,216,268)(H,217,257)(H,218,269)(H,219,275)(H,220,281)(H,221,271)(H,222,276)(H,223,290)(H,224,291)(H,225,296)(H,226,292)(H,227,270)(H,228,277)(H,229,284)(H,230,272)(H,231,282)(H,232,283)(H,233,273)(H,234,285)(H,235,293)(H,236,278)(H,237,274)(H,238,287)(H,239,286)(H,240,288)(H,241,294)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,302,303)(H4,201,202,208)(H4,203,204,209)(H4,205,206,210)/t98?,99?,100-,101-,102-,103-,104?,105+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,153-,154-,155-,156-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Peptides 20: 1043-53 (1999)


Article DOI: 10.1016/s0196-9781(99)00098-4
BindingDB Entry DOI: 10.7270/Q2BR8QQF
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(RAT)
BDBM85536
PNG
(PYY, zebrafish)
Show SMILES CCC(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](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(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(O)=O
Show InChI InChI=1S/C194H292N52O57/c1-17-98(9)153(182(293)235-134(88-145(199)255)173(284)229-129(81-97(7)8)175(286)239-154(99(10)18-2)183(294)241-156(105(16)248)185(296)225-121(35-25-73-210-194(205)206)160(271)221-122(61-65-144(198)254)164(275)219-120(34-24-72-209-193(203)204)163(274)237-138(191(302)303)86-110-49-59-116(253)60-50-110)238-176(287)131(84-108-45-55-114(251)56-46-108)232-172(283)133(87-111-92-207-94-212-111)233-162(273)119(33-23-71-208-192(201)202)220-170(281)128(80-96(5)6)227-159(270)102(13)215-184(295)155(104(15)247)240-177(288)132(85-109-47-57-115(252)58-48-109)231-171(282)130(83-107-43-53-113(250)54-44-107)230-161(272)118(31-19-21-69-195)218-158(269)101(12)214-168(279)127(79-95(3)4)228-166(277)123(62-66-148(258)259)222-165(276)124(63-67-149(260)261)223-179(290)140-37-27-74-242(140)186(297)103(14)216-157(268)100(11)213-169(280)136(91-152(266)267)234-174(285)135(90-151(264)265)217-147(257)93-211-178(289)139-36-26-75-243(139)189(300)137(89-146(200)256)236-167(278)125(64-68-150(262)263)224-180(291)141-38-28-76-244(141)188(299)126(32-20-22-70-196)226-181(292)142-39-29-77-245(142)190(301)143-40-30-78-246(143)187(298)117(197)82-106-41-51-112(249)52-42-106/h41-60,92,94-105,117-143,153-156,247-253H,17-40,61-91,93,195-197H2,1-16H3,(H2,198,254)(H2,199,255)(H2,200,256)(H,207,212)(H,211,289)(H,213,280)(H,214,279)(H,215,295)(H,216,268)(H,217,257)(H,218,269)(H,219,275)(H,220,281)(H,221,271)(H,222,276)(H,223,290)(H,224,291)(H,225,296)(H,226,292)(H,227,270)(H,228,277)(H,229,284)(H,230,272)(H,231,282)(H,232,283)(H,233,273)(H,234,285)(H,235,293)(H,236,278)(H,237,274)(H,238,287)(H,239,286)(H,240,288)(H,241,294)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,302,303)(H4,201,202,208)(H4,203,204,209)(H4,205,206,210)/t98?,99?,100-,101-,102-,103-,104?,105+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,153-,154-,155-,156-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Peptides 20: 1043-53 (1999)


Article DOI: 10.1016/s0196-9781(99)00098-4
BindingDB Entry DOI: 10.7270/Q2BR8QQF
More data for this
Ligand-Target Pair