Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50296841' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Nociceptin receptor
(RAT) | BDBM50296841
(CHEMBL556388 | FGGFTGARKSARKWRNQ)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](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:1.1,73.75,89.90,42.44,112.115,26.27,131.134,58.59,3.3,wD:78.79,7.15,47.48,98.99,123.126,67.68,(7.64,-2.95,;8.97,-3.72,;10.31,-2.96,;8.96,-5.26,;7.62,-6.03,;6.29,-5.25,;6.3,-3.71,;4.95,-6.01,;4.94,-7.55,;6.27,-8.33,;6.25,-9.86,;7.58,-10.64,;8.92,-9.88,;8.93,-8.33,;7.61,-7.57,;3.62,-5.23,;2.29,-6,;2.28,-7.54,;.96,-5.22,;-.38,-5.98,;-1.71,-5.2,;-1.7,-3.66,;-3.05,-5.97,;-4.38,-5.19,;-5.72,-5.95,;-5.73,-7.49,;-7.04,-5.17,;-8.38,-5.94,;-7.03,-3.63,;-8.36,-2.86,;-8.36,-1.31,;-9.69,-.53,;-11.03,-1.3,;-11.03,-2.85,;-9.7,-3.61,;10.29,-6.04,;10.28,-7.58,;11.63,-5.28,;12.96,-6.06,;14.29,-5.29,;14.3,-3.75,;15.62,-6.07,;16.96,-5.31,;16.97,-3.77,;18.29,-6.09,;18.28,-7.63,;19.63,-5.32,;20.96,-6.1,;20.95,-7.64,;19.61,-8.4,;19.6,-9.94,;18.26,-10.71,;18.26,-12.25,;16.92,-13.01,;19.59,-13.02,;22.3,-5.34,;22.31,-3.8,;23.63,-6.12,;24.96,-5.35,;24.97,-3.81,;26.31,-3.05,;26.32,-1.51,;27.66,-.75,;27.67,.79,;26.29,-6.13,;26.28,-7.67,;27.63,-5.37,;28.96,-6.15,;28.95,-7.69,;27.61,-8.45,;30.3,-5.38,;30.31,-3.84,;31.63,-6.16,;32.97,-5.4,;32.98,-3.86,;34.29,-6.18,;34.28,-7.72,;35.63,-5.41,;36.96,-6.19,;36.95,-7.73,;35.61,-8.49,;35.61,-10.03,;34.27,-10.8,;34.26,-12.34,;32.93,-13.1,;35.59,-13.11,;38.3,-5.43,;38.31,-3.89,;39.63,-6.21,;40.97,-5.44,;40.98,-3.9,;42.32,-3.14,;42.33,-1.6,;43.67,-.84,;43.68,.7,;42.3,-6.22,;42.29,-7.76,;43.64,-5.46,;44.96,-6.24,;44.95,-7.78,;46.28,-8.55,;47.68,-7.93,;48.7,-9.08,;47.93,-10.4,;48.39,-11.85,;47.36,-12.97,;45.87,-12.64,;45.41,-11.19,;46.44,-10.07,;46.3,-5.47,;46.31,-3.93,;47.63,-6.25,;48.97,-5.49,;48.98,-3.95,;50.31,-3.19,;50.32,-1.66,;51.65,-.9,;51.66,.63,;52.99,1.39,;50.34,1.41,;50.3,-6.27,;50.29,-7.81,;51.64,-5.51,;52.97,-6.28,;52.96,-7.82,;54.29,-8.61,;55.62,-7.84,;54.28,-10.15,;54.31,-5.53,;54.32,-3.99,;55.63,-6.3,;56.97,-5.54,;56.98,-4,;58.32,-3.23,;58.33,-1.69,;57,-.92,;59.67,-.94,;58.3,-6.31,;59.64,-5.56,;58.29,-7.85,)| Show InChI InChI=1S/C87H135N31O22/c1-46(106-68(124)44-105-83(138)70(48(3)120)118-81(136)61(38-50-21-8-5-9-22-50)108-69(125)43-103-67(123)42-104-73(128)53(90)37-49-19-6-4-7-20-49)71(126)109-57(27-16-34-99-85(93)94)74(129)112-56(26-13-15-33-89)78(133)117-64(45-119)82(137)107-47(2)72(127)110-58(28-17-35-100-86(95)96)75(130)111-55(25-12-14-32-88)76(131)115-62(39-51-41-102-54-24-11-10-23-52(51)54)79(134)113-59(29-18-36-101-87(97)98)77(132)116-63(40-66(92)122)80(135)114-60(84(139)140)30-31-65(91)121/h4-11,19-24,41,46-48,53,55-64,70,102,119-120H,12-18,25-40,42-45,88-90H2,1-3H3,(H2,91,121)(H2,92,122)(H,103,123)(H,104,128)(H,105,138)(H,106,124)(H,107,137)(H,108,125)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,134)(H,114,135)(H,115,131)(H,116,132)(H,117,133)(H,118,136)(H,139,140)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t46-,47-,48+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay |
Bioorg Med Chem 17: 5683-7 (2009)
Article DOI: 10.1016/j.bmc.2009.06.015
BindingDB Entry DOI: 10.7270/Q2GB2435 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(RAT) | BDBM50296841
(CHEMBL556388 | FGGFTGARKSARKWRNQ)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](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:1.1,73.75,89.90,42.44,112.115,26.27,131.134,58.59,3.3,wD:78.79,7.15,47.48,98.99,123.126,67.68,(7.64,-2.95,;8.97,-3.72,;10.31,-2.96,;8.96,-5.26,;7.62,-6.03,;6.29,-5.25,;6.3,-3.71,;4.95,-6.01,;4.94,-7.55,;6.27,-8.33,;6.25,-9.86,;7.58,-10.64,;8.92,-9.88,;8.93,-8.33,;7.61,-7.57,;3.62,-5.23,;2.29,-6,;2.28,-7.54,;.96,-5.22,;-.38,-5.98,;-1.71,-5.2,;-1.7,-3.66,;-3.05,-5.97,;-4.38,-5.19,;-5.72,-5.95,;-5.73,-7.49,;-7.04,-5.17,;-8.38,-5.94,;-7.03,-3.63,;-8.36,-2.86,;-8.36,-1.31,;-9.69,-.53,;-11.03,-1.3,;-11.03,-2.85,;-9.7,-3.61,;10.29,-6.04,;10.28,-7.58,;11.63,-5.28,;12.96,-6.06,;14.29,-5.29,;14.3,-3.75,;15.62,-6.07,;16.96,-5.31,;16.97,-3.77,;18.29,-6.09,;18.28,-7.63,;19.63,-5.32,;20.96,-6.1,;20.95,-7.64,;19.61,-8.4,;19.6,-9.94,;18.26,-10.71,;18.26,-12.25,;16.92,-13.01,;19.59,-13.02,;22.3,-5.34,;22.31,-3.8,;23.63,-6.12,;24.96,-5.35,;24.97,-3.81,;26.31,-3.05,;26.32,-1.51,;27.66,-.75,;27.67,.79,;26.29,-6.13,;26.28,-7.67,;27.63,-5.37,;28.96,-6.15,;28.95,-7.69,;27.61,-8.45,;30.3,-5.38,;30.31,-3.84,;31.63,-6.16,;32.97,-5.4,;32.98,-3.86,;34.29,-6.18,;34.28,-7.72,;35.63,-5.41,;36.96,-6.19,;36.95,-7.73,;35.61,-8.49,;35.61,-10.03,;34.27,-10.8,;34.26,-12.34,;32.93,-13.1,;35.59,-13.11,;38.3,-5.43,;38.31,-3.89,;39.63,-6.21,;40.97,-5.44,;40.98,-3.9,;42.32,-3.14,;42.33,-1.6,;43.67,-.84,;43.68,.7,;42.3,-6.22,;42.29,-7.76,;43.64,-5.46,;44.96,-6.24,;44.95,-7.78,;46.28,-8.55,;47.68,-7.93,;48.7,-9.08,;47.93,-10.4,;48.39,-11.85,;47.36,-12.97,;45.87,-12.64,;45.41,-11.19,;46.44,-10.07,;46.3,-5.47,;46.31,-3.93,;47.63,-6.25,;48.97,-5.49,;48.98,-3.95,;50.31,-3.19,;50.32,-1.66,;51.65,-.9,;51.66,.63,;52.99,1.39,;50.34,1.41,;50.3,-6.27,;50.29,-7.81,;51.64,-5.51,;52.97,-6.28,;52.96,-7.82,;54.29,-8.61,;55.62,-7.84,;54.28,-10.15,;54.31,-5.53,;54.32,-3.99,;55.63,-6.3,;56.97,-5.54,;56.98,-4,;58.32,-3.23,;58.33,-1.69,;57,-.92,;59.67,-.94,;58.3,-6.31,;59.64,-5.56,;58.29,-7.85,)| Show InChI InChI=1S/C87H135N31O22/c1-46(106-68(124)44-105-83(138)70(48(3)120)118-81(136)61(38-50-21-8-5-9-22-50)108-69(125)43-103-67(123)42-104-73(128)53(90)37-49-19-6-4-7-20-49)71(126)109-57(27-16-34-99-85(93)94)74(129)112-56(26-13-15-33-89)78(133)117-64(45-119)82(137)107-47(2)72(127)110-58(28-17-35-100-86(95)96)75(130)111-55(25-12-14-32-88)76(131)115-62(39-51-41-102-54-24-11-10-23-52(51)54)79(134)113-59(29-18-36-101-87(97)98)77(132)116-63(40-66(92)122)80(135)114-60(84(139)140)30-31-65(91)121/h4-11,19-24,41,46-48,53,55-64,70,102,119-120H,12-18,25-40,42-45,88-90H2,1-3H3,(H2,91,121)(H2,92,122)(H,103,123)(H,104,128)(H,105,138)(H,106,124)(H,107,137)(H,108,125)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,134)(H,114,135)(H,115,131)(H,116,132)(H,117,133)(H,118,136)(H,139,140)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t46-,47-,48+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description
Agonist activity at rat ORL1 receptor expressed in african green monkey COS7 cells assessed as stimulation of [35S]GTPgammaS binding by radioligand r... |
Bioorg Med Chem 17: 5683-7 (2009)
Article DOI: 10.1016/j.bmc.2009.06.015
BindingDB Entry DOI: 10.7270/Q2GB2435 |
More data for this
Ligand-Target Pair | |
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