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BDBM303067 US9598447, Ref No. MM

SMILES: OP(O)(=O)CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O

InChI Key: InChIKey=OAGCYXVUJDFUGX-FGGOGHJKSA-N

Data: 1 KI  1 EC50

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

Found 2 hits for monomerid = 303067   
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))
BDBM303067
PNG
(US9598447, Ref No. MM)
Show SMILES OP(O)(=O)CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20|
Show InChI InChI=1S/C27H39N4O4P/c32-27-26(28-11-12-36(33,34)35)29-24-9-1-2-10-25(24)31(27)23-16-20-7-4-8-21(17-23)30(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23H,3-8,11-17H2,(H,28,29)(H2,33,34,35)/t18-,19+,20-,21+,22+,23+
PDB

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AffyNet 
PC cid
PC sid
UniChem
US Patent
24.1n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...


US Patent US9598447 (2017)


BindingDB Entry DOI: 10.7270/Q2P27168
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM303067
PNG
(US9598447, Ref No. MM)
Show SMILES OP(O)(=O)CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20|
Show InChI InChI=1S/C27H39N4O4P/c32-27-26(28-11-12-36(33,34)35)29-24-9-1-2-10-25(24)31(27)23-16-20-7-4-8-21(17-23)30(20)22-14-18-5-3-6-19(13-18)15-22/h1-2,9-10,18-23H,3-8,11-17H2,(H,28,29)(H2,33,34,35)/t18-,19+,20-,21+,22+,23+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 10.8n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...


US Patent US9598447 (2017)


BindingDB Entry DOI: 10.7270/Q2P27168
More data for this
Ligand-Target Pair