Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50296843' 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) | BDBM50296843
(CHEMBL555757 | FGGFTGARKSARKRWNQ)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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:1.1,73.75,89.90,42.44,109.110,26.27,131.134,58.59,3.3,wD:78.79,7.15,47.48,98.99,123.126,67.68,(7.43,-25.86,;8.76,-26.64,;10.1,-25.88,;8.75,-28.18,;7.41,-28.94,;6.08,-28.16,;6.09,-26.62,;4.74,-28.93,;4.73,-30.47,;6.06,-31.24,;6.05,-32.78,;7.37,-33.56,;8.72,-32.79,;8.72,-31.24,;7.4,-30.48,;3.41,-28.15,;2.08,-28.91,;2.07,-30.45,;.75,-28.13,;-.59,-28.9,;-1.92,-28.12,;-1.91,-26.58,;-3.26,-28.88,;-4.59,-28.1,;-5.93,-28.87,;-5.94,-30.41,;-7.25,-28.09,;-8.59,-28.85,;-7.24,-26.55,;-8.57,-25.77,;-8.57,-24.23,;-9.89,-23.45,;-11.24,-24.21,;-11.25,-25.76,;-9.91,-26.53,;10.08,-28.96,;10.07,-30.5,;11.42,-28.19,;12.75,-28.97,;14.08,-28.21,;14.09,-26.67,;15.41,-28.99,;16.75,-28.22,;16.76,-26.68,;18.08,-29,;18.07,-30.54,;19.42,-28.24,;20.75,-29.02,;20.74,-30.56,;19.4,-31.32,;19.39,-32.86,;18.06,-33.62,;18.05,-35.16,;16.71,-35.92,;19.38,-35.94,;22.09,-28.25,;22.1,-26.71,;23.42,-29.03,;24.75,-28.27,;24.76,-26.73,;26.1,-25.97,;26.11,-24.43,;27.45,-23.66,;27.46,-22.12,;26.08,-29.05,;26.07,-30.59,;27.42,-28.28,;28.75,-29.06,;28.74,-30.6,;27.4,-31.36,;30.09,-28.3,;30.1,-26.76,;31.42,-29.08,;32.76,-28.31,;32.77,-26.77,;34.08,-29.09,;34.07,-30.63,;35.42,-28.33,;36.75,-29.11,;36.74,-30.65,;35.41,-31.41,;35.4,-32.95,;34.06,-33.71,;34.05,-35.25,;32.72,-36.01,;35.38,-36.03,;38.09,-28.34,;38.1,-26.8,;39.42,-29.12,;40.76,-28.36,;40.77,-26.82,;42.11,-26.06,;42.12,-24.52,;43.46,-23.75,;43.47,-22.21,;42.09,-29.14,;42.08,-30.68,;43.43,-28.37,;44.75,-29.15,;44.75,-30.69,;43.41,-31.45,;43.41,-32.99,;42.07,-33.74,;42.06,-35.28,;40.73,-36.04,;43.39,-36.05,;46.09,-28.39,;46.1,-26.85,;47.42,-29.17,;48.76,-28.4,;48.77,-26.86,;50.1,-26.1,;51.49,-26.73,;52.52,-25.6,;51.76,-24.27,;52.25,-22.82,;51.23,-21.68,;49.72,-21.99,;49.25,-23.44,;50.26,-24.58,;50.09,-29.18,;50.08,-30.72,;51.43,-28.43,;52.76,-29.2,;52.75,-30.74,;54.08,-31.52,;55.42,-30.76,;54.08,-33.06,;54.1,-28.44,;54.11,-26.9,;55.42,-29.22,;56.76,-28.46,;56.77,-26.92,;58.11,-26.15,;58.12,-24.61,;56.79,-23.84,;59.46,-23.85,;58.09,-29.23,;59.43,-28.47,;58.09,-30.77,)| 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)75(130)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)76(131)111-55(25-12-14-32-88)74(129)113-59(29-18-36-101-87(97)98)77(132)115-62(39-51-41-102-54-24-11-10-23-52(51)54)79(134)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,111,131)(H,112,130)(H,113,129)(H,114,135)(H,115,132)(H,116,134)(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 | 0.300 | 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) | BDBM50296843
(CHEMBL555757 | FGGFTGARKSARKRWNQ)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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:1.1,73.75,89.90,42.44,109.110,26.27,131.134,58.59,3.3,wD:78.79,7.15,47.48,98.99,123.126,67.68,(7.43,-25.86,;8.76,-26.64,;10.1,-25.88,;8.75,-28.18,;7.41,-28.94,;6.08,-28.16,;6.09,-26.62,;4.74,-28.93,;4.73,-30.47,;6.06,-31.24,;6.05,-32.78,;7.37,-33.56,;8.72,-32.79,;8.72,-31.24,;7.4,-30.48,;3.41,-28.15,;2.08,-28.91,;2.07,-30.45,;.75,-28.13,;-.59,-28.9,;-1.92,-28.12,;-1.91,-26.58,;-3.26,-28.88,;-4.59,-28.1,;-5.93,-28.87,;-5.94,-30.41,;-7.25,-28.09,;-8.59,-28.85,;-7.24,-26.55,;-8.57,-25.77,;-8.57,-24.23,;-9.89,-23.45,;-11.24,-24.21,;-11.25,-25.76,;-9.91,-26.53,;10.08,-28.96,;10.07,-30.5,;11.42,-28.19,;12.75,-28.97,;14.08,-28.21,;14.09,-26.67,;15.41,-28.99,;16.75,-28.22,;16.76,-26.68,;18.08,-29,;18.07,-30.54,;19.42,-28.24,;20.75,-29.02,;20.74,-30.56,;19.4,-31.32,;19.39,-32.86,;18.06,-33.62,;18.05,-35.16,;16.71,-35.92,;19.38,-35.94,;22.09,-28.25,;22.1,-26.71,;23.42,-29.03,;24.75,-28.27,;24.76,-26.73,;26.1,-25.97,;26.11,-24.43,;27.45,-23.66,;27.46,-22.12,;26.08,-29.05,;26.07,-30.59,;27.42,-28.28,;28.75,-29.06,;28.74,-30.6,;27.4,-31.36,;30.09,-28.3,;30.1,-26.76,;31.42,-29.08,;32.76,-28.31,;32.77,-26.77,;34.08,-29.09,;34.07,-30.63,;35.42,-28.33,;36.75,-29.11,;36.74,-30.65,;35.41,-31.41,;35.4,-32.95,;34.06,-33.71,;34.05,-35.25,;32.72,-36.01,;35.38,-36.03,;38.09,-28.34,;38.1,-26.8,;39.42,-29.12,;40.76,-28.36,;40.77,-26.82,;42.11,-26.06,;42.12,-24.52,;43.46,-23.75,;43.47,-22.21,;42.09,-29.14,;42.08,-30.68,;43.43,-28.37,;44.75,-29.15,;44.75,-30.69,;43.41,-31.45,;43.41,-32.99,;42.07,-33.74,;42.06,-35.28,;40.73,-36.04,;43.39,-36.05,;46.09,-28.39,;46.1,-26.85,;47.42,-29.17,;48.76,-28.4,;48.77,-26.86,;50.1,-26.1,;51.49,-26.73,;52.52,-25.6,;51.76,-24.27,;52.25,-22.82,;51.23,-21.68,;49.72,-21.99,;49.25,-23.44,;50.26,-24.58,;50.09,-29.18,;50.08,-30.72,;51.43,-28.43,;52.76,-29.2,;52.75,-30.74,;54.08,-31.52,;55.42,-30.76,;54.08,-33.06,;54.1,-28.44,;54.11,-26.9,;55.42,-29.22,;56.76,-28.46,;56.77,-26.92,;58.11,-26.15,;58.12,-24.61,;56.79,-23.84,;59.46,-23.85,;58.09,-29.23,;59.43,-28.47,;58.09,-30.77,)| 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)75(130)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)76(131)111-55(25-12-14-32-88)74(129)113-59(29-18-36-101-87(97)98)77(132)115-62(39-51-41-102-54-24-11-10-23-52(51)54)79(134)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,111,131)(H,112,130)(H,113,129)(H,114,135)(H,115,132)(H,116,134)(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 | 3.10 | 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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