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BDBM50106475 CHEMBL266667::FGGFTGCRKSCRK

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

InChI Key: InChIKey=FWONJHXXZQGBHM-CTFKUAQKSA-N

Data: 1 IC50  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 = 50106475   
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))
BDBM50106475
PNG
(CHEMBL266667 | FGGFTGCRKSCRK)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15S2/c1-34(85)49(83-55(94)42(27-36-16-6-3-7-17-36)75-47(87)29-72-46(86)28-73-51(90)37(64)26-35-14-4-2-5-15-35)59(98)74-30-48(88)76-44(32-99)57(96)79-41(21-13-25-71-61(68)69)53(92)78-39(19-9-11-23-63)54(93)81-43(31-84)56(95)82-45(33-100)58(97)80-40(20-12-24-70-60(66)67)52(91)77-38(50(65)89)18-8-10-22-62/h2-7,14-17,34,37-45,49,84-85,99-100H,8-13,18-33,62-64H2,1H3,(H2,65,89)(H,72,86)(H,73,90)(H,74,98)(H,75,87)(H,76,88)(H,77,91)(H,78,92)(H,79,96)(H,80,97)(H,81,93)(H,82,95)(H,83,94)(H4,66,67,70)(H4,68,69,71)/t34-,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106475
PNG
(CHEMBL266667 | FGGFTGCRKSCRK)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15S2/c1-34(85)49(83-55(94)42(27-36-16-6-3-7-17-36)75-47(87)29-72-46(86)28-73-51(90)37(64)26-35-14-4-2-5-15-35)59(98)74-30-48(88)76-44(32-99)57(96)79-41(21-13-25-71-61(68)69)53(92)78-39(19-9-11-23-63)54(93)81-43(31-84)56(95)82-45(33-100)58(97)80-40(20-12-24-70-60(66)67)52(91)77-38(50(65)89)18-8-10-22-62/h2-7,14-17,34,37-45,49,84-85,99-100H,8-13,18-33,62-64H2,1H3,(H2,65,89)(H,72,86)(H,73,90)(H,74,98)(H,75,87)(H,76,88)(H,77,91)(H,78,92)(H,79,96)(H,80,97)(H,81,93)(H,82,95)(H,83,94)(H4,66,67,70)(H4,68,69,71)/t34-,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 26.3n/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Efficacy for human ORL1 receptor expressing HEK-293 cells


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair