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BDBM50121246 CHEMBL438537::F-G-G-F-T-G-A-R-K-S-A-R-K-L-MeA-N-Q-CONH2

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O

InChI Key: InChIKey=DLMXQMKGBYRHOA-FKPOJLNCSA-N

Data: 1 KI  1 EC50

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 = 50121246   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121246
PNG
(CHEMBL438537 | F-G-G-F-T-G-A-R-K-S-A-R-K-L-MeA-N-Q...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-42(2)34-57(78(129)108(7)45(5)68(119)104-56(37-60(85)112)74(125)99-50(65(86)116)28-29-59(84)111)105-72(123)51(24-14-16-30-81)102-71(122)54(27-19-33-92-80(89)90)101-67(118)44(4)97-76(127)58(41-109)106-73(124)52(25-15-17-31-82)103-70(121)53(26-18-32-91-79(87)88)100-66(117)43(3)96-62(114)40-95-77(128)64(46(6)110)107-75(126)55(36-48-22-12-9-13-23-48)98-63(115)39-93-61(113)38-94-69(120)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,109-110H,14-19,24-41,81-83H2,1-7H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,128)(H,96,114)(H,97,127)(H,98,115)(H,99,125)(H,100,117)(H,101,118)(H,102,122)(H,103,121)(H,104,119)(H,105,123)(H,106,124)(H,107,126)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0600n/an/an/an/an/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)


BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121246
PNG
(CHEMBL438537 | F-G-G-F-T-G-A-R-K-S-A-R-K-L-MeA-N-Q...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-42(2)34-57(78(129)108(7)45(5)68(119)104-56(37-60(85)112)74(125)99-50(65(86)116)28-29-59(84)111)105-72(123)51(24-14-16-30-81)102-71(122)54(27-19-33-92-80(89)90)101-67(118)44(4)97-76(127)58(41-109)106-73(124)52(25-15-17-31-82)103-70(121)53(26-18-32-91-79(87)88)100-66(117)43(3)96-62(114)40-95-77(128)64(46(6)110)107-75(126)55(36-48-22-12-9-13-23-48)98-63(115)39-93-61(113)38-94-69(120)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,109-110H,14-19,24-41,81-83H2,1-7H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,128)(H,96,114)(H,97,127)(H,98,115)(H,99,125)(H,100,117)(H,101,118)(H,102,122)(H,103,121)(H,104,119)(H,105,123)(H,106,124)(H,107,126)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 0.730n/an/an/an/a



Purdue Pharma L. P.

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)


BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair