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BDBM50434640 CHEMBL2387188

SMILES: CCC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12

InChI Key: InChIKey=SGXKUDSIRVCXTR-IZAXUBKRSA-N

Data: 1 KI  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50434640   
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))
BDBM50434640
PNG
(CHEMBL2387188)
Show SMILES CCC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:6.9,3.2,(42.58,-12.05,;41.54,-13.19,;40.04,-12.86,;39.57,-11.4,;38.06,-11.07,;37.59,-9.61,;38.63,-8.46,;40.14,-8.78,;40.61,-10.25,;38.16,-6.99,;36.65,-6.66,;36.18,-5.21,;37.22,-4.07,;38.72,-4.38,;39.19,-5.85,;36.74,-2.6,;37.65,-1.35,;39.18,-1.35,;36.74,-.1,;35.27,-.57,;33.94,.2,;32.61,-.58,;32.61,-2.12,;33.94,-2.89,;35.27,-2.12,)|
Show InChI InChI=1S/C22H32N2O/c1-2-5-17-8-10-19(11-9-17)23-14-12-20(13-15-23)24-21-7-4-3-6-18(21)16-22(24)25/h3-4,6-7,17,19-20H,2,5,8-16H2,1H3/t17-,19+
PDB

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PC cid
PC sid
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Similars

Article
PubMed
7.60n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50434640
PNG
(CHEMBL2387188)
Show SMILES CCC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:6.9,3.2,(42.58,-12.05,;41.54,-13.19,;40.04,-12.86,;39.57,-11.4,;38.06,-11.07,;37.59,-9.61,;38.63,-8.46,;40.14,-8.78,;40.61,-10.25,;38.16,-6.99,;36.65,-6.66,;36.18,-5.21,;37.22,-4.07,;38.72,-4.38,;39.19,-5.85,;36.74,-2.6,;37.65,-1.35,;39.18,-1.35,;36.74,-.1,;35.27,-.57,;33.94,.2,;32.61,-.58,;32.61,-2.12,;33.94,-2.89,;35.27,-2.12,)|
Show InChI InChI=1S/C22H32N2O/c1-2-5-17-8-10-19(11-9-17)23-14-12-20(13-15-23)24-21-7-4-3-6-18(21)16-22(24)25/h3-4,6-7,17,19-20H,2,5,8-16H2,1H3/t17-,19+
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 107n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation coun...


Bioorg Med Chem Lett 23: 3308-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.101
BindingDB Entry DOI: 10.7270/Q2T43VHN
More data for this
Ligand-Target Pair