Found 1771 hits with Last Name = 'ito' and Initial = 'j' 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 |
|---|
Beta-2 adrenergic receptor and beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50379086
(CHEMBL2012521 | CHEMBL2012522 | LY-377604)Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r| Show InChI InChI=1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]Iodocyanopindolol from human adrenergic beta2 receptor expressed in insect sf9 cells by scintillation counting |
ACS Med Chem Lett 2: 583-586 (2011)
Article DOI: 10.1021/ml200071k
BindingDB Entry DOI: 10.7270/Q20R9QDP |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50379086
(CHEMBL2012521 | CHEMBL2012522 | LY-377604)Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r| Show InChI InChI=1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]Iodocyanopindolol from human adrenergic beta1 receptor expressed in insect sf9 cells by scintillation counting |
ACS Med Chem Lett 2: 583-586 (2011)
Article DOI: 10.1021/ml200071k
BindingDB Entry DOI: 10.7270/Q20R9QDP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219966
(CHEMBL23959)Show SMILES CC[C@H](C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219965
(CHEMBL430913)Show SMILES CC[C@@H](C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)cc1Cl | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220479
(CHEMBL23342) | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219957
(CHEMBL3085294)Show SMILES CCc1nc2c(ccnc2n1[C@H](C)C1CC1)-c1ccc(Cl)cc1Cl |r| | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220478
(CHEMBL22622)Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1cc(C)c(OC)cc1C | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219954
(CHEMBL283993)Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(OC(F)F)cc1Cl | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)
(Rattus norvegicus (Rat)) | BDBM50026756
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 290: 989-97 (1999)
BindingDB Entry DOI: 10.7270/Q280515N |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219969
(CHEMBL23439)Show SMILES CCC(CCOC)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219962
(CHEMBL431105)Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C(F)(F)F | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219962
(CHEMBL431105)Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C(F)(F)F | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074509
(CHEMBL354886 | [3-(2,4-Dibromo-phenyl)-5-methyl-3H...)Show SMILES CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br Show InChI InChI=1S/C18H22Br2N6/c1-4-6-13(7-5-2)23-17-16-18(22-11(3)21-17)26(25-24-16)15-9-8-12(19)10-14(15)20/h8-10,13H,4-7H2,1-3H3,(H,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220480
(CHEMBL22433) | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)
(Rattus norvegicus (Rat)) | BDBM50026756
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla,
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 290: 989-97 (1999)
BindingDB Entry DOI: 10.7270/Q280515N |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074501
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)| Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074492
(CHEMBL168554 | [9-(2-Bromo-4-isopropyl-phenyl)-2,8...)Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C |(12.64,1.78,;12.64,.23,;11.31,-.54,;11.31,-2.08,;9.99,-2.85,;8.64,-2.08,;7.32,-2.85,;9.99,-4.38,;8.64,-5.15,;8.64,-6.69,;7.31,-7.46,;9.99,-7.46,;11.31,-6.69,;12.76,-7.15,;13.67,-5.92,;15.21,-5.94,;12.76,-4.68,;11.31,-5.15,;13.39,-8.57,;12.49,-9.81,;13.11,-11.22,;14.65,-11.38,;15.56,-10.13,;14.93,-8.73,;15.84,-7.48,;15.27,-12.8,;16.79,-12.97,;14.35,-14.04,)| Show InChI InChI=1S/C22H30BrN5/c1-7-9-12-27(8-2)21-20-22(25-15(5)24-21)28(16(6)26-20)19-11-10-17(14(3)4)13-18(19)23/h10-11,13-14H,7-9,12H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220485
(CHEMBL23354) | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219967
(CHEMBL423475)Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(C)=O | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219961
(CHEMBL23483) | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219963
(CHEMBL276971)Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219963
(CHEMBL276971)Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(F)(F)F | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5 ( NPY Y5)
(Homo sapiens (Human)) | BDBM50249758
(2-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3| Show InChI InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to human NPYY5 receptor |
Bioorg Med Chem 17: 6106-22 (2009)
Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219970
(CHEMBL23950) | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM26976
(2-benzoylquinazoline analogue, (1R, 2S)-17 | N-(4-...)Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r| Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32)/t18-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | -50.5 | n/a | n/a | n/a | n/a | n/a | 7.8 | 25 |
Nippon Shinyaku Co.
| Assay Description
Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp... |
Bioorg Med Chem 17: 119-32 (2009)
Article DOI: 10.1016/j.bmc.2008.11.012
BindingDB Entry DOI: 10.7270/Q2Q52MX5 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5 ( NPY Y5)
(Homo sapiens (Human)) | BDBM50249833
(6-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridy...)Show SMILES C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)[nH]1 |r,c:3| Show InChI InChI=1S/C20H16F2N4O/c1-12-20(13-5-8-15(21)9-6-13,14-7-10-17(22)23-11-14)26-19(24-12)16-3-2-4-18(27)25-16/h2-12H,1H3,(H,24,26)(H,25,27)/t12-,20-/m0/s1 | KEGG
UniProtKB/SwissProt
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 |
Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells |
Bioorg Med Chem 17: 6106-22 (2009)
Article DOI: 10.1016/j.bmc.2009.05.069
BindingDB Entry DOI: 10.7270/Q2513ZHZ |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074465
(CHEMBL354982 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)Show SMILES CCCCN(CC)c1nc(C)nc2n(c(nc12)C(F)(F)F)-c1ccc(cc1Br)C(C)C |(12.23,1.79,;12.23,.23,;10.9,-.54,;10.9,-2.08,;9.57,-2.85,;8.22,-2.08,;6.89,-2.85,;9.57,-4.39,;8.22,-5.16,;8.22,-6.7,;6.88,-7.47,;9.57,-7.47,;10.9,-6.7,;12.35,-7.17,;13.26,-5.93,;12.35,-4.69,;10.9,-5.16,;14.8,-5.95,;16.34,-5.96,;14.79,-7.47,;14.8,-4.41,;12.68,-8.68,;11.55,-9.71,;11.88,-11.21,;13.33,-11.69,;14.47,-10.65,;14.15,-9.15,;15.41,-8.29,;13.66,-13.21,;12.51,-14.24,;15.13,-13.7,)| Show InChI InChI=1S/C22H27BrF3N5/c1-6-8-11-30(7-2)19-18-20(28-14(5)27-19)31(21(29-18)22(24,25)26)17-10-9-15(13(3)4)12-16(17)23/h9-10,12-13H,6-8,11H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219956
(CHEMBL282289)Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(SC)cc1C(F)(F)F | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074500
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-ethyl-pentylox...)Show SMILES CCCCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C21H28BrN5O/c1-6-8-9-16(7-2)28-21-19-20(23-14(5)24-21)27(26-25-19)18-11-10-15(13(3)4)12-17(18)22/h10-13,16H,6-9H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50219971
(CHEMBL23291)Show SMILES CCc1nc2c(ccnc2n1C(CCOC)C1CC1)-c1ccc(Cl)cc1Cl | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50076602
(CHEMBL368772 | [9-(2-Bromo-4-isopropyl-phenyl)-8-c...)Show SMILES CCCCN(CC)c1nc(C)nc2n(c(Cl)nc12)-c1ccc(cc1Br)C(C)C |(-1.35,.74,;-1.35,-.8,;.01,-1.57,;.01,-3.11,;1.36,-3.87,;2.69,-3.1,;2.69,-1.56,;1.36,-5.41,;.03,-6.18,;.03,-7.73,;-1.3,-8.5,;1.36,-8.5,;2.71,-7.71,;4.18,-8.17,;5.07,-6.94,;6.61,-6.93,;4.16,-5.69,;2.69,-6.18,;4.65,-9.64,;3.62,-10.79,;4.11,-12.26,;5.63,-12.56,;6.66,-11.41,;6.17,-9.94,;7.26,-8.85,;6.1,-14.02,;5.09,-15.17,;7.61,-14.33,)| Show InChI InChI=1S/C21H27BrClN5/c1-6-8-11-27(7-2)19-18-20(25-14(5)24-19)28(21(23)26-18)17-10-9-15(13(3)4)12-16(17)22/h9-10,12-13H,6-8,11H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad... |
Bioorg Med Chem Lett 9: 967-72 (1999)
BindingDB Entry DOI: 10.7270/Q26H4GKK |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50076613
(CHEMBL367253 | [9-(2-Bromo-4-isopropyl-phenyl)-8-m...)Show SMILES CCCCN(CC)c1nc(C)nc2n(c(OC)nc12)-c1ccc(cc1Br)C(C)C |(5.24,-4.86,;5.24,-6.4,;6.57,-7.17,;6.59,-8.71,;7.92,-9.48,;9.28,-8.71,;9.25,-7.17,;7.95,-11.02,;6.61,-11.79,;6.61,-13.33,;5.26,-14.1,;7.95,-14.1,;9.28,-13.33,;10.75,-13.8,;11.66,-12.54,;13.2,-12.54,;13.74,-13.32,;10.75,-11.3,;9.28,-11.79,;11.24,-15.24,;10.21,-16.39,;10.7,-17.86,;12.21,-18.16,;13.24,-17.02,;12.75,-15.55,;13.83,-14.45,;12.7,-19.63,;11.67,-20.78,;14.2,-19.94,)| Show InChI InChI=1S/C22H30BrN5O/c1-7-9-12-27(8-2)20-19-21(25-15(5)24-20)28(22(26-19)29-6)18-11-10-16(14(3)4)13-17(18)23/h10-11,13-14H,7-9,12H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad... |
Bioorg Med Chem Lett 9: 967-72 (1999)
BindingDB Entry DOI: 10.7270/Q26H4GKK |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50058163
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220483
(CHEMBL22213)Show SMILES CCc1nc2c(ncnc2n1C(C1CC1)C1CC1)-c1ccc(cc1Cl)C(F)(F)F | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 129-31 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220483
(CHEMBL22213)Show SMILES CCc1nc2c(ncnc2n1C(C1CC1)C1CC1)-c1ccc(cc1Cl)C(F)(F)F | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220476
(CHEMBL280666)Show SMILES CCC(CCOC)n1c(OC)nc2c(ccnc12)-c1ccc(OC(F)(F)F)cc1Cl | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074482
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-methoxymethyl-...)Show SMILES CCC(COC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C19H24BrN5O2/c1-6-14(10-26-5)27-19-17-18(21-12(4)22-19)25(24-23-17)16-8-7-13(11(2)3)9-15(16)20/h7-9,11,14H,6,10H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074470
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-ethyl-propoxy)...)Show SMILES CCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C19H24BrN5O/c1-6-14(7-2)26-19-17-18(21-12(5)22-19)25(24-23-17)16-9-8-13(11(3)4)10-15(16)20/h8-11,14H,6-7H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220492
(CHEMBL25256)Show SMILES CCC[C@@H](C)n1c(CC)nc2c(nccc12)-c1ccc(OC(F)(F)F)cc1Cl | PDB
MMDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 129-31 (2003)
|
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50036738
((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Chieti Gabriele D'Annunzio
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method |
Eur J Med Chem 90: 1-9 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074349
((2-Bromo-4-isopropyl-phenyl)-ethyl-[4-(1-ethyl-pro...)Show InChI InChI=1S/C21H30BrN3/c1-7-16(8-2)19-12-15(6)23-21(24-19)25(9-3)20-11-10-17(14(4)5)13-18(20)22/h10-14,16H,7-9H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1 |
J Med Chem 42: 805-18 (1999)
Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50016848
(CHEMBL3276408)Show SMILES [I-].[I-].C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis |
J Med Chem 20: 1617-23 (1978)
BindingDB Entry DOI: 10.7270/Q29025BQ |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM26975
(2-benzoylquinazoline analogue, (rac)-17 | N-{4-[(2...)Show SMILES [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3\[#7]=[#6](/[#7])-[#7])c2c1 Show InChI InChI=1S/C23H26ClN7O/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | -49.5 | n/a | n/a | n/a | n/a | n/a | 7.8 | 25 |
Nippon Shinyaku Co.
| Assay Description
Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samp... |
Bioorg Med Chem 17: 119-32 (2009)
Article DOI: 10.1016/j.bmc.2008.11.012
BindingDB Entry DOI: 10.7270/Q2Q52MX5 |
More data for this
Ligand-Target Pair | |
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | Reactome pathway
KEGG
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement radioligand form dopamine D2 receptor in rat striatum by liquid scintillation counting |
Eur J Med Chem 46: 433-8 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50016848
(CHEMBL3276408)Show SMILES [I-].[I-].C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp... |
J Med Chem 20: 1617-23 (1978)
BindingDB Entry DOI: 10.7270/Q29025BQ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| PDB
Article
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting |
Eur J Med Chem 46: 433-8 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Corticotropin releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074468
(Butyl-ethyl-[3-(4-isopropyl-2-methylsulfanyl-pheny...)Show SMILES CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1SC)C(C)C Show InChI InChI=1S/C22H31N5S/c1-7-9-12-26(8-2)19-13-16(5)23-22-21(19)24-25-27(22)18-11-10-17(15(3)4)14-20(18)28-6/h10-11,13-15H,7-9,12H2,1-6H3 | PDB
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Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells |
J Med Chem 42: 833-48 (1999)
Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220475
(CHEMBL431886)Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(cc1Cl)C(\C)=N/OC | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 125-8 (2003)
|
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50064946
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2 | PDB
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| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting |
Eur J Med Chem 46: 433-8 (2010)
Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9 |
More data for this
Ligand-Target Pair | |
Corticotropin releasing factor receptor
(Rattus norvegicus (rat)-RAT) | BDBM50220491
(CHEMBL422223)Show SMILES CCC[C@H](C)n1c(CC)nc2c(nccc12)-c1ccc(OC(F)(F)F)cc1Cl | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 129-31 (2003)
|
More data for this
Ligand-Target Pair | |
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