BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2276 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nociceptin receptor


(Homo sapiens (human))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.130 -55.9n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21844
PNG
(8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-y...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@H]2CCCc3cccc1c23
Show InChI InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.390 -53.2n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26906
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(ethylamino)eth...)
Show SMILES CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H34Cl2N4O/c1-2-33-18-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-19-34(20-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28,33H,2,16-22H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10 -49.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26913
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(butylamino)eth...)
Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C32H38Cl2N4O/c1-2-3-19-35-20-23-37-24-38(25-11-5-4-6-12-25)32(31(37)39)17-21-36(22-18-32)30(26-13-7-9-15-28(26)33)27-14-8-10-16-29(27)34/h4-16,30,35H,2-3,17-24H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.15 -49.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26916
PNG
(8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(pyrro...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C32H36Cl2N4O/c33-28-14-6-4-12-26(28)30(27-13-5-7-15-29(27)34)36-20-16-32(17-21-36)31(39)37(23-22-35-18-8-9-19-35)24-38(32)25-10-2-1-3-11-25/h1-7,10-15,30H,8-9,16-24H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.25 -48.9n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26907
PNG
(8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(propa...)
Show SMILES CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C31H36Cl2N4O/c1-23(2)34-18-21-36-22-37(24-10-4-3-5-11-24)31(30(36)38)16-19-35(20-17-31)29(25-12-6-8-14-27(25)32)26-13-7-9-15-28(26)33/h3-15,23,29,34H,16-22H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.55 -48.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26914
PNG
(8-[bis(2-chlorophenyl)methyl]-3-{2-[(2-methylpropy...)
Show SMILES CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C32H38Cl2N4O/c1-24(2)22-35-18-21-37-23-38(25-10-4-3-5-11-25)32(31(37)39)16-19-36(20-17-32)30(26-12-6-8-14-28(26)33)27-13-7-9-15-29(27)34/h3-15,24,30,35H,16-23H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.75 -48.4n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21845
PNG
(2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2,3-dihydr...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1ccccc21
Show InChI InChI=1S/C23H34N2O/c1-17(2)18-8-10-20(11-9-18)25-14-12-23(13-15-25)21-7-5-4-6-19(21)16-24(3)22(23)26/h4-7,17-18,20H,8-16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10 -48.1n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26917
PNG
(8-[bis(2-chlorophenyl)methyl]-1-phenyl-3-[3-(pyrro...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C33H38Cl2N4O/c34-29-15-6-4-13-27(29)31(28-14-5-7-16-30(28)35)37-23-17-33(18-24-37)32(40)38(22-10-21-36-19-8-9-20-36)25-39(33)26-11-2-1-3-12-26/h1-7,11-16,31H,8-10,17-25H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20 -48.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26910
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(dimethylamino)...)
Show SMILES CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H34Cl2N4O/c1-33(2)20-21-35-22-36(23-10-4-3-5-11-23)30(29(35)37)16-18-34(19-17-30)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,28H,16-22H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5 -47.8n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26911
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclopropylami...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C31H34Cl2N4O/c32-27-12-6-4-10-25(27)29(26-11-5-7-13-28(26)33)35-19-16-31(17-20-35)30(38)36(21-18-34-23-14-15-23)22-37(31)24-8-2-1-3-9-24/h1-13,23,29,34H,14-22H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70 -47.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26915
PNG
(8-[bis(2-chlorophenyl)methyl]-3-{2-[(cyclohexylmet...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNCC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C35H42Cl2N4O/c36-31-17-9-7-15-29(31)33(30-16-8-10-18-32(30)37)39-22-19-35(20-23-39)34(42)40(26-41(35)28-13-5-2-6-14-28)24-21-38-25-27-11-3-1-4-12-27/h2,5-10,13-18,27,33,38H,1,3-4,11-12,19-26H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80 -47.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26905
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(methylamino)et...)
Show SMILES CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C29H32Cl2N4O/c1-32-17-20-34-21-35(22-9-3-2-4-10-22)29(28(34)36)15-18-33(19-16-29)27(23-11-5-7-13-25(23)30)24-12-6-8-14-26(24)31/h2-14,27,32H,15-21H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.05 -47.4n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21857
PNG
(1'-[4-(propan-2-yl)cyclohexyl]-2,3-dihydro-1H-spir...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21
Show InChI InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)24-13-11-22(12-14-24)20-6-4-3-5-18(20)15-23-21(22)25/h3-6,16-17,19H,7-15H2,1-2H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70 -47.1n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26909
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclohexylamin...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C34H40Cl2N4O/c35-30-17-9-7-15-28(30)32(29-16-8-10-18-31(29)36)38-22-19-34(20-23-38)33(41)39(24-21-37-26-11-3-1-4-12-26)25-40(34)27-13-5-2-6-14-27/h2,5-10,13-18,26,32,37H,1,3-4,11-12,19-25H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5 -46.9n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21851
PNG
(2-benzyl-1'-[4-(propan-2-yl)cyclohexyl]-2,3-dihydr...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21
Show InChI InChI=1S/C29H38N2O/c1-22(2)24-12-14-26(15-13-24)30-18-16-29(17-19-30)27-11-7-6-10-25(27)21-31(28(29)32)20-23-8-4-3-5-9-23/h3-11,22,24,26H,12-21H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60 -46.2n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26908
PNG
(8-[bis(2-chlorophenyl)methyl]-3-[2-(cyclopentylami...)
Show SMILES Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C33H38Cl2N4O/c34-29-16-8-6-14-27(29)31(28-15-7-9-17-30(28)35)37-21-18-33(19-22-37)32(40)38(23-20-36-25-10-4-5-11-25)24-39(33)26-12-2-1-3-13-26/h1-3,6-9,12-17,25,31,36H,4-5,10-11,18-24H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.65 -45.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21847
PNG
(7-fluoro-2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cc(F)ccc21
Show InChI InChI=1S/C23H33FN2O/c1-16(2)17-4-7-20(8-5-17)26-12-10-23(11-13-26)21-9-6-19(24)14-18(21)15-25(3)22(23)27/h6,9,14,16-17,20H,4-5,7-8,10-13,15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.90 -45.5n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21852
PNG
(2-benzyl-5-fluoro-1'-[4-(propan-2-yl)cyclohexyl]-2...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21
Show InChI InChI=1S/C29H37FN2O/c1-21(2)23-11-13-25(14-12-23)31-17-15-29(16-18-31)27-24(9-6-10-26(27)30)20-32(28(29)33)19-22-7-4-3-5-8-22/h3-10,21,23,25H,11-20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
12 -44.8n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26912
PNG
(8-[bis(2-chlorophenyl)methyl]-3-{2-[bis(propan-2-y...)
Show SMILES CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O)C(C)C
Show InChI InChI=1S/C34H42Cl2N4O/c1-25(2)39(26(3)4)23-22-38-24-40(27-12-6-5-7-13-27)34(33(38)41)18-20-37(21-19-34)32(28-14-8-10-16-30(28)35)29-15-9-11-17-31(29)36/h5-17,25-26,32H,18-24H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.1 -44.7n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26902
PNG
(8-[bis(2-chlorophenyl)methyl]-3-(2-hydroxyethyl)-1...)
Show SMILES OCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C28H29Cl2N3O2/c29-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)30)31-16-14-28(15-17-31)27(35)32(18-19-34)20-33(28)21-8-2-1-3-9-21/h1-13,26,34H,14-20H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.5 -43.7n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26901
PNG
(methyl 2-{8-[bis(2-chlorophenyl)methyl]-4-oxo-1-ph...)
Show SMILES COC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C29H29Cl2N3O3/c1-37-26(35)19-33-20-34(21-9-3-2-4-10-21)29(28(33)36)15-17-32(18-16-29)27(22-11-5-7-13-24(22)30)23-12-6-8-14-25(23)31/h2-14,27H,15-20H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.5 -43.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21848
PNG
(1'-(4-tert-butylcyclohexyl)-2-methyl-2,3-dihydro-1...)
Show SMILES CN1Cc2ccccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O
Show InChI InChI=1S/C24H36N2O/c1-23(2,3)19-9-11-20(12-10-19)26-15-13-24(14-16-26)21-8-6-5-7-18(21)17-25(4)22(24)27/h5-8,19-20H,9-17H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
21 -43.4n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21858
PNG
(7-fluoro-1'-[4-(propan-2-yl)cyclohexyl]-2,3-dihydr...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21
Show InChI InChI=1S/C22H31FN2O/c1-15(2)16-3-6-19(7-4-16)25-11-9-22(10-12-25)20-8-5-18(23)13-17(20)14-24-21(22)26/h5,8,13,15-16,19H,3-4,6-7,9-12,14H2,1-2H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
23 -43.2n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26888
PNG
(8-(diphenylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-26(29(20-27-25)23-14-8-3-9-15-23)16-18-28(19-17-26)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,24H,16-20H2,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
23 -43.2n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26903
PNG
(8-[bis(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-1...)
Show SMILES COCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C29H31Cl2N3O2/c1-36-20-19-33-21-34(22-9-3-2-4-10-22)29(28(33)35)15-17-32(18-16-29)27(23-11-5-7-13-25(23)30)24-12-6-8-14-26(24)31/h2-14,27H,15-21H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
26 -42.9n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21853
PNG
(2-benzyl-7-fluoro-1'-[4-(propan-2-yl)cyclohexyl]-2...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21
Show InChI InChI=1S/C29H37FN2O/c1-21(2)23-8-11-26(12-9-23)31-16-14-29(15-17-31)27-13-10-25(30)18-24(27)20-32(28(29)33)19-22-6-4-3-5-7-22/h3-7,10,13,18,21,23,26H,8-9,11-12,14-17,19-20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
26 -42.9n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26889
PNG
(8-(diphenylmethyl)-3-methyl-1-phenyl-1,3,8-triazas...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C27H29N3O/c1-28-21-30(24-15-9-4-10-16-24)27(26(28)31)17-19-29(20-18-27)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,25H,17-21H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
31 -42.4n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26891
PNG
(8-(diphenylmethyl)-1-phenyl-3-propyl-1,3,8-triazas...)
Show SMILES CCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C29H33N3O/c1-2-20-31-23-32(26-16-10-5-11-17-26)29(28(31)33)18-21-30(22-19-29)27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,2,18-23H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
34 -42.2n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21859
PNG
(1'-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-spiro[i...)
Show SMILES CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21
Show InChI InChI=1S/C23H34N2O/c1-22(2,3)18-8-10-19(11-9-18)25-14-12-23(13-15-25)20-7-5-4-6-17(20)16-24-21(23)26/h4-7,18-19H,8-16H2,1-3H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
42 -41.7n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26904
PNG
(3-(2-aminoethyl)-8-[bis(2-chlorophenyl)methyl]-1-p...)
Show SMILES NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C28H30Cl2N4O/c29-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)30)32-17-14-28(15-18-32)27(35)33(19-16-31)20-34(28)21-8-2-1-3-9-21/h1-13,26H,14-20,31H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
47.8 -41.4n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26899
PNG
(8-[bis(2-chlorophenyl)methyl]-3-butyl-1-phenyl-1,3...)
Show SMILES CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C30H33Cl2N3O/c1-2-3-19-34-22-35(23-11-5-4-6-12-23)30(29(34)36)17-20-33(21-18-30)28(24-13-7-9-15-26(24)31)25-14-8-10-16-27(25)32/h4-16,28H,2-3,17-22H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
48.7 -41.3n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21854
PNG
(2-benzyl-1'-(4-tert-butylcyclohexyl)-2,3-dihydro-1...)
Show SMILES CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21
Show InChI InChI=1S/C30H40N2O/c1-29(2,3)25-13-15-26(16-14-25)31-19-17-30(18-20-31)27-12-8-7-11-24(27)22-32(28(30)33)21-23-9-5-4-6-10-23/h4-12,25-26H,13-22H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
51 -41.2n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26895
PNG
(3-(cyclobutylmethyl)-8-(diphenylmethyl)-1-phenyl-1...)
Show SMILES O=C1N(CC2CCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35N3O/c35-30-31(34(28-17-8-3-9-18-28)24-33(30)23-25-11-10-12-25)19-21-32(22-20-31)29(26-13-4-1-5-14-26)27-15-6-2-7-16-27/h1-9,13-18,25,29H,10-12,19-24H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
53 -41.1n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26900
PNG
(8-[bis(2-chlorophenyl)methyl]-3-(3-methylbutyl)-1-...)
Show SMILES CC(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Show InChI InChI=1S/C31H35Cl2N3O/c1-23(2)16-19-35-22-36(24-10-4-3-5-11-24)31(30(35)37)17-20-34(21-18-31)29(25-12-6-8-14-27(25)32)26-13-7-9-15-28(26)33/h3-15,23,29H,16-22H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
56 -41.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26892
PNG
(3-butyl-8-(diphenylmethyl)-1-phenyl-1,3,8-triazasp...)
Show SMILES CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C30H35N3O/c1-2-3-21-32-24-33(27-17-11-6-12-18-27)30(29(32)34)19-22-31(23-20-30)28(25-13-7-4-8-14-25)26-15-9-5-10-16-26/h4-18,28H,2-3,19-24H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
57 -40.9n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21862
PNG
(N-benzyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]pip...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)(C(=O)NCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H38N2O/c1-22(2)24-13-15-26(16-14-24)30-19-17-28(18-20-30,25-11-7-4-8-12-25)27(31)29-21-23-9-5-3-6-10-23/h3-12,22,24,26H,13-21H2,1-2H3,(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
65 -40.6n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26893
PNG
(8-(diphenylmethyl)-1-phenyl-3-(propan-2-yl)-1,3,8-...)
Show SMILES CC(C)N1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C29H33N3O/c1-23(2)31-22-32(26-16-10-5-11-17-26)29(28(31)33)18-20-30(21-19-29)27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,23,27H,18-22H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
66 -40.6n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21855
PNG
(2-benzyl-1'-(4-tert-butylcyclohexyl)-5-fluoro-2,3-...)
Show SMILES CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21
Show InChI InChI=1S/C30H39FN2O/c1-29(2,3)24-12-14-25(15-13-24)32-18-16-30(17-19-32)27-23(10-7-11-26(27)31)21-33(28(30)34)20-22-8-5-4-6-9-22/h4-11,24-25H,12-21H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
81 -40.1n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26894
PNG
(3-(cyclopropylmethyl)-8-(diphenylmethyl)-1-phenyl-...)
Show SMILES O=C1N(CC2CC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H33N3O/c34-29-30(33(27-14-8-3-9-15-27)23-32(29)22-24-16-17-24)18-20-31(21-19-30)28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,24,28H,16-23H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
83 -40.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26890
PNG
(8-(diphenylmethyl)-3-ethyl-1-phenyl-1,3,8-triazasp...)
Show SMILES CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C28H31N3O/c1-2-29-22-31(25-16-10-5-11-17-25)28(27(29)32)18-20-30(21-19-28)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
84 -40.0n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26896
PNG
(3-(cyclohexylmethyl)-8-(diphenylmethyl)-1-phenyl-1...)
Show SMILES O=C1N(CC2CCCCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H39N3O/c37-32-33(36(30-19-11-4-12-20-30)26-35(32)25-27-13-5-1-6-14-27)21-23-34(24-22-33)31(28-15-7-2-8-16-28)29-17-9-3-10-18-29/h2-4,7-12,15-20,27,31H,1,5-6,13-14,21-26H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
89 -39.8n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21860
PNG
(1'-(4-tert-butylcyclohexyl)-7-fluoro-2,3-dihydro-1...)
Show SMILES CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21
Show InChI InChI=1S/C23H33FN2O/c1-22(2,3)17-4-7-19(8-5-17)26-12-10-23(11-13-26)20-9-6-18(24)14-16(20)15-25-21(23)27/h6,9,14,17,19H,4-5,7-8,10-13,15H2,1-3H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
90 -39.8n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21863
PNG
(4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)(C(N)=O)c1ccccc1
Show InChI InChI=1S/C21H32N2O/c1-16(2)17-8-10-19(11-9-17)23-14-12-21(13-15-23,20(22)24)18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H2,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
92 -39.8n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21861
PNG
(N-methyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]pip...)
Show SMILES CNC(=O)C1(CCN(CC1)C1CCC(CC1)C(C)C)c1ccccc1
Show InChI InChI=1S/C22H34N2O/c1-17(2)18-9-11-20(12-10-18)24-15-13-22(14-16-24,21(25)23-3)19-7-5-4-6-8-19/h4-8,17-18,20H,9-16H2,1-3H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
130 -38.9n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21856
PNG
(2-benzyl-1'-(4-tert-butylcyclohexyl)-7-fluoro-2,3-...)
Show SMILES CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21
Show InChI InChI=1S/C30H39FN2O/c1-29(2,3)24-9-12-26(13-10-24)32-17-15-30(16-18-32)27-14-11-25(31)19-23(27)21-33(28(30)34)20-22-7-5-4-6-8-22/h4-8,11,14,19,24,26H,9-10,12-13,15-18,20-21H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
136 -38.8n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21850
PNG
(1'-(4-tert-butylcyclohexyl)-7-fluoro-2-methyl-2,3-...)
Show SMILES CN1Cc2cc(F)ccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O
Show InChI InChI=1S/C24H35FN2O/c1-23(2,3)18-5-8-20(9-6-18)27-13-11-24(12-14-27)21-10-7-19(25)15-17(21)16-26(4)22(24)28/h7,10,15,18,20H,5-6,8-9,11-14,16H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
147 -38.6n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM21846
PNG
(5-fluoro-2-methyl-1'-[4-(propan-2-yl)cyclohexyl]-2...)
Show SMILES CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21
Show InChI InChI=1S/C23H33FN2O/c1-16(2)17-7-9-19(10-8-17)26-13-11-23(12-14-26)21-18(5-4-6-20(21)24)15-25(3)22(23)27/h4-6,16-17,19H,7-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
186 -38.0n/an/an/an/an/a7.422



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26898
PNG
(8-(diphenylmethyl)-1-phenyl-3-(prop-2-en-1-yl)-1,3...)
Show SMILES C=CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C29H31N3O/c1-2-20-31-23-32(26-16-10-5-11-17-26)29(28(31)33)18-21-30(22-19-29)27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h2-17,27H,1,18-23H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
203 -37.8n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (human))
BDBM26897
PNG
(8-(diphenylmethyl)-1-phenyl-3-(prop-2-yn-1-yl)-1,3...)
Show SMILES O=C1N(CC#C)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29N3O/c1-2-20-31-23-32(26-16-10-5-11-17-26)29(28(31)33)18-21-30(22-19-29)27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h1,3-17,27H,18-23H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
234 -37.5n/an/an/an/an/a7.422



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2276 total )  |  Next  |  Last  >>
Jump to: