Found 165 hits with Last Name = 'przewlocka' and Initial = 'b' 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
(Homo sapiens (Human)) | BDBM50173133
(CHEMBL3810319)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C51H73N17O9/c1-27-21-33(71)22-28(2)35(27)25-42(68-46(75)40(23-30-14-16-32(70)17-15-30)66-44(73)38(63-29(3)69)12-7-19-60-50(55)56)48(77)65-39(13-8-20-61-51(57)58)45(74)67-41(24-31-26-62-36-10-5-4-9-34(31)36)47(76)64-37(43(52)72)11-6-18-59-49(53)54/h4-5,9-10,14-17,21-22,26,37-42,62,70-71H,6-8,11-13,18-20,23-25H2,1-3H3,(H2,52,72)(H,63,69)(H,64,76)(H,65,77)(H,66,73)(H,67,74)(H,68,75)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t37-,38-,39-,40-,41-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counti... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50173132
(CHEMBL3808650)Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C49H68FN17O8/c1-27(68)62-36(10-5-21-59-48(54)55)42(71)65-39(24-29-14-18-32(69)19-15-29)45(74)66-38(23-28-12-16-31(50)17-13-28)44(73)64-37(11-6-22-60-49(56)57)43(72)67-40(25-30-26-61-34-8-3-2-7-33(30)34)46(75)63-35(41(51)70)9-4-20-58-47(52)53/h2-3,7-8,12-19,26,35-40,61,69H,4-6,9-11,20-25H2,1H3,(H2,51,70)(H,62,68)(H,63,75)(H,64,73)(H,65,71)(H,66,74)(H,67,72)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t35-,36-,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counti... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070376
(CHEMBL3408518)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C40H48F6N8O5/c1-22-13-29(55)14-23(2)30(22)19-31(47)35(57)51-32(9-6-11-50-38(48)49)36(58)52-33-17-25-7-4-5-8-26(25)21-54(37(33)59)12-10-34(56)53(3)20-24-15-27(39(41,42)43)18-28(16-24)40(44,45)46/h4-5,7-8,13-16,18,31-33,55H,6,9-12,17,19-21,47H2,1-3H3,(H,51,57)(H,52,58)(H4,48,49,50)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070380
(CHEMBL3408522)Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C37H48N8O5/c1-23-16-28(46)17-24(2)29(23)19-30(38)34(48)42-31(14-9-15-41-37(39)40)35(49)43-32-18-26-12-7-8-13-27(26)21-45(36(32)50)22-33(47)44(3)20-25-10-5-4-6-11-25/h4-8,10-13,16-17,30-32,46H,9,14-15,18-22,38H2,1-3H3,(H,42,48)(H,43,49)(H4,39,40,41)/t30-,31+,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070385
(CHEMBL3408736)Show SMILES CN(CC(=O)N(C)Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C37H50N8O5/c1-24-18-28(46)19-25(2)29(24)21-30(38)34(48)42-31(16-11-17-41-37(39)40)35(49)43-32(20-26-12-7-5-8-13-26)36(50)45(4)23-33(47)44(3)22-27-14-9-6-10-15-27/h5-10,12-15,18-19,30-32,46H,11,16-17,20-23,38H2,1-4H3,(H,42,48)(H,43,49)(H4,39,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070381
(CHEMBL3408730)Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C36H46N8O5/c1-22-15-27(45)16-23(2)28(22)18-29(37)33(47)42-30(13-8-14-40-36(38)39)34(48)43-31-17-25-11-6-7-12-26(25)20-44(35(31)49)21-32(46)41-19-24-9-4-3-5-10-24/h3-7,9-12,15-16,29-31,45H,8,13-14,17-21,37H2,1-2H3,(H,41,46)(H,42,47)(H,43,48)(H4,38,39,40)/t29-,30+,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50346330
((R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te...)Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-1=O |r| Show InChI InChI=1S/C29H40N8O5/c1-16-10-20(38)11-17(2)21(16)13-22(30)26(40)35-23(8-5-9-34-29(32)33)27(41)36-24-12-18-6-3-4-7-19(18)14-37(28(24)42)15-25(31)39/h3-4,6-7,10-11,22-24,38H,5,8-9,12-15,30H2,1-2H3,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23+,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155796
(CHEMBL3781680)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)CC(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-20-15-24(43)16-21(2)25(20)19-26(35)30(45)41-27(12-8-14-39-33(37)38)31(46)42-28(17-22-9-4-3-5-10-22)32(47)40-23(18-29(36)44)11-6-7-13-34/h3-5,9-10,15-16,23,26-28,43H,6-8,11-14,17-19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t23-,26-,27+,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.187 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070379
(CHEMBL3408521)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H49N7O6/c1-24-18-29(46)19-25(2)30(24)21-31(39)35(48)42-32(14-9-16-41-38(40)51)36(49)43-33-20-27-12-7-8-13-28(27)23-45(37(33)50)17-15-34(47)44(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,46H,9,14-17,20-23,39H2,1-3H3,(H,42,48)(H,43,49)(H3,40,41,51)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070378
(CHEMBL3408520)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C40H47F6N7O6/c1-22-13-29(54)14-23(2)30(22)19-31(47)35(56)50-32(9-6-11-49-38(48)59)36(57)51-33-17-25-7-4-5-8-26(25)21-53(37(33)58)12-10-34(55)52(3)20-24-15-27(39(41,42)43)18-28(16-24)40(44,45)46/h4-5,7-8,13-16,18,31-33,54H,6,9-12,17,19-21,47H2,1-3H3,(H,50,56)(H,51,57)(H3,48,49,59)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070379
(CHEMBL3408521)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H49N7O6/c1-24-18-29(46)19-25(2)30(24)21-31(39)35(48)42-32(14-9-16-41-38(40)51)36(49)43-33-20-27-12-7-8-13-28(27)23-45(37(33)50)17-15-34(47)44(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,46H,9,14-17,20-23,39H2,1-3H3,(H,42,48)(H,43,49)(H3,40,41,51)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting analysis |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50173126
(CHEMBL3809510)Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C44H70N14O9/c1-4-25(2)36(42(67)54-31(37(46)62)9-5-6-20-45)58-39(64)33(11-8-22-52-44(49)50)55-40(65)34(23-27-12-16-29(60)17-13-27)57-41(66)35(24-28-14-18-30(61)19-15-28)56-38(63)32(53-26(3)59)10-7-21-51-43(47)48/h12-19,25,31-36,60-61H,4-11,20-24,45H2,1-3H3,(H2,46,62)(H,53,59)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H4,47,48,51)(H4,49,50,52)/t25-,31-,32-,33-,34-,35-,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation coun... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070378
(CHEMBL3408520)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C40H47F6N7O6/c1-22-13-29(54)14-23(2)30(22)19-31(47)35(56)50-32(9-6-11-49-38(48)59)36(57)51-33-17-25-7-4-5-8-26(25)21-53(37(33)58)12-10-34(55)52(3)20-24-15-27(39(41,42)43)18-28(16-24)40(44,45)46/h4-5,7-8,13-16,18,31-33,54H,6,9-12,17,19-21,47H2,1-3H3,(H,50,56)(H,51,57)(H3,48,49,59)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50346330
((R)-N-((S)-2-(2-amino-2-oxoethyl)-3-oxo-2,3,4,5-te...)Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-1=O |r| Show InChI InChI=1S/C29H40N8O5/c1-16-10-20(38)11-17(2)21(16)13-22(30)26(40)35-23(8-5-9-34-29(32)33)27(41)36-24-12-18-6-3-4-7-19(18)14-37(28(24)42)15-25(31)39/h3-4,6-7,10-11,22-24,38H,5,8-9,12-15,30H2,1-2H3,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23+,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070384
(CHEMBL3408735)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C39H48F6N8O5/c1-22-13-28(54)14-23(2)29(22)19-30(46)34(56)50-31(11-8-12-49-37(47)48)35(57)51-32(17-24-9-6-5-7-10-24)36(58)53(4)21-33(55)52(3)20-25-15-26(38(40,41)42)18-27(16-25)39(43,44)45/h5-7,9-10,13-16,18,30-32,54H,8,11-12,17,19-21,46H2,1-4H3,(H,50,56)(H,51,57)(H4,47,48,49) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070381
(CHEMBL3408730)Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C36H46N8O5/c1-22-15-27(45)16-23(2)28(22)18-29(37)33(47)42-30(13-8-14-40-36(38)39)34(48)43-31-17-25-11-6-7-12-26(25)20-44(35(31)49)21-32(46)41-19-24-9-4-3-5-10-24/h3-7,9-12,15-16,29-31,45H,8,13-14,17-21,37H2,1-2H3,(H,41,46)(H,42,47)(H,43,48)(H4,38,39,40)/t29-,30+,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155774
(CHEMBL3780776)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H71F6N11O6/c1-34-26-41(74)27-35(2)42(34)32-44(64)49(75)68-45(17-11-20-67-54(65)66)50(76)70-47(28-36-12-5-3-6-13-36)51(77)69-46(16-9-10-19-63)53(79)72-24-22-71(23-25-72)48-18-21-73(33-43(48)37-14-7-4-8-15-37)52(78)38-29-39(55(57,58)59)31-40(30-38)56(60,61)62/h3-8,12-15,26-27,29-31,43-48,74H,9-11,16-25,28,32-33,63-64H2,1-2H3,(H,68,75)(H,69,77)(H,70,76)(H4,65,66,67)/t43-,44+,45-,46+,47+,48-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155794
(CHEMBL3780820)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C53H66F6N10O6/c1-31-23-38(70)24-32(2)39(31)29-41(61)46(71)65-42(18-12-21-64-51(62)63)47(72)67-44(25-33-13-6-4-7-14-33)48(73)66-43(17-10-11-20-60)50(75)68(3)45-19-22-69(30-40(45)34-15-8-5-9-16-34)49(74)35-26-36(52(54,55)56)28-37(27-35)53(57,58)59/h4-9,13-16,23-24,26-28,40-45,70H,10-12,17-22,25,29-30,60-61H2,1-3H3,(H,65,71)(H,66,73)(H,67,72)(H4,62,63,64)/t40-,41+,42-,43+,44+,45-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155795
(CHEMBL3780408)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C54H68F6N10O6/c1-32-23-39(71)24-33(2)41(32)29-43(62)47(72)66-44(18-12-21-65-52(63)64)48(73)68-46(27-34-13-6-4-7-14-34)49(74)67-45(17-10-11-20-61)51(76)70-22-19-40(42(31-70)36-15-8-5-9-16-36)50(75)69(3)30-35-25-37(53(55,56)57)28-38(26-35)54(58,59)60/h4-9,13-16,23-26,28,40,42-46,71H,10-12,17-22,27,29-31,61-62H2,1-3H3,(H,66,72)(H,67,74)(H,68,73)(H4,63,64,65)/t40-,42+,43+,44-,45+,46+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat brain MOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070384
(CHEMBL3408735)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C39H48F6N8O5/c1-22-13-28(54)14-23(2)29(22)19-30(46)34(56)50-31(11-8-12-49-37(47)48)35(57)51-32(17-24-9-6-5-7-10-24)36(58)53(4)21-33(55)52(3)20-25-15-26(38(40,41)42)18-27(16-25)39(43,44)45/h5-7,9-10,13-16,18,30-32,54H,8,11-12,17,19-21,46H2,1-4H3,(H,50,56)(H,51,57)(H4,47,48,49) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070376
(CHEMBL3408518)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C40H48F6N8O5/c1-22-13-29(55)14-23(2)30(22)19-31(47)35(57)51-32(9-6-11-50-38(48)49)36(58)52-33-17-25-7-4-5-8-26(25)21-54(37(33)59)12-10-34(56)53(3)20-24-15-27(39(41,42)43)18-28(16-24)40(44,45)46/h4-5,7-8,13-16,18,31-33,55H,6,9-12,17,19-21,47H2,1-3H3,(H,51,57)(H,52,58)(H4,48,49,50)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155797
(CHEMBL3780818)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C55H70F6N10O6/c1-33-23-41(72)24-34(2)43(33)30-45(63)49(74)68-46(18-12-21-66-53(64)65)50(75)69-47(27-35-13-6-4-7-14-35)51(76)67-40(17-10-11-20-62)29-48(73)71-22-19-42(44(32-71)37-15-8-5-9-16-37)52(77)70(3)31-36-25-38(54(56,57)58)28-39(26-36)55(59,60)61/h4-9,13-16,23-26,28,40,42,44-47,72H,10-12,17-22,27,29-32,62-63H2,1-3H3,(H,67,76)(H,68,74)(H,69,75)(H4,64,65,66)/t40-,42+,44-,45-,46+,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070380
(CHEMBL3408522)Show SMILES [H][C@@]1(Cc2ccccc2CN(CC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C37H48N8O5/c1-23-16-28(46)17-24(2)29(23)19-30(38)34(48)42-31(14-9-15-41-37(39)40)35(49)43-32-18-26-12-7-8-13-27(26)21-45(36(32)50)22-33(47)44(3)20-25-10-5-4-6-11-25/h4-8,10-13,16-17,30-32,46H,9,14-15,18-22,38H2,1-3H3,(H,42,48)(H,43,49)(H4,39,40,41)/t30-,31+,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation cou... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070385
(CHEMBL3408736)Show SMILES CN(CC(=O)N(C)Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C37H50N8O5/c1-24-18-28(46)19-25(2)29(24)21-30(38)34(48)42-31(16-11-17-41-37(39)40)35(49)43-32(20-26-12-7-5-8-13-26)36(50)45(4)23-33(47)44(3)22-27-14-9-6-10-15-27/h5-10,12-15,18-19,30-32,46H,11,16-17,20-23,38H2,1-4H3,(H,42,48)(H,43,49)(H4,39,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from rat brain DOR after 2 hrs |
Eur J Med Chem 92: 64-77 (2015)
Article DOI: 10.1016/j.ejmech.2014.12.033
BindingDB Entry DOI: 10.7270/Q2M90BCC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50173127
(CHEMBL3808415)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counti... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155797
(CHEMBL3780818)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C55H70F6N10O6/c1-33-23-41(72)24-34(2)43(33)30-45(63)49(74)68-46(18-12-21-66-53(64)65)50(75)69-47(27-35-13-6-4-7-14-35)51(76)67-40(17-10-11-20-62)29-48(73)71-22-19-42(44(32-71)37-15-8-5-9-16-37)52(77)70(3)31-36-25-38(54(56,57)58)28-39(26-36)55(59,60)61/h4-9,13-16,23-26,28,40,42,44-47,72H,10-12,17-22,27,29-32,62-63H2,1-3H3,(H,67,76)(H,68,74)(H,69,75)(H4,64,65,66)/t40-,42+,44-,45-,46+,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Search and Browse
