Found 1341 hits with Last Name = 'ogawa' and Initial = 'k' 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 |
|---|
Coagulation factor XI
(Homo sapiens (Human)) | BDBM419907
((S)-2-(1-(3-AMMONIO-1H-INDAZOLE-6-CARBOXAMIDO)-2-P...)Show SMILES Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| UniChem
| US Patent
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM419910
(US10472344, Example 4)Show SMILES NC(=O)c1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H20ClN7O3S/c27-18-7-9-21(33-15-29-31-32-33)19(13-18)17-6-8-22(34(37)14-17)20(12-16-4-2-1-3-5-16)30-26(36)24-11-10-23(38-24)25(28)35/h1-11,13-15,20H,12H2,(H2,28,35)(H,30,36)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM330035
(Methyl [(7S)-7-[6-(aminomethyl)-1-oxo-3,4-dihydroi...)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCc2cc(C[NH3+])ccc2C1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US9663527 (2017)
BindingDB Entry DOI: 10.7270/Q2862JJQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM285852
(5-(2-{3-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1-...)Show SMILES OC(=O)c1ccc(s1)-c1cnc([nH]1)C1CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 3.08 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US10081617 (2018)
BindingDB Entry DOI: 10.7270/Q2CR5WDN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM419908
(US10472344, Example 2)Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C29H24ClN7O4/c1-41-29(39)32-23-11-7-20(8-12-23)28(38)33-25(15-19-5-3-2-4-6-19)27-13-9-21(17-37(27)40)24-16-22(30)10-14-26(24)36-18-31-34-35-36/h2-14,16-18,25H,15H2,1H3,(H,32,39)(H,33,38)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM330036
(US9663527, Example 2)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCCc2cc(C[NH3+])ccc2C1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US9663527 (2017)
BindingDB Entry DOI: 10.7270/Q2862JJQ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589709
(CHEMBL5173504)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589713
(CHEMBL5194064)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM419912
(US10472344, Example 6)Show SMILES OC(=O)c1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H19ClN6O4S/c27-18-7-9-21(32-15-28-30-31-32)19(13-18)17-6-8-22(33(37)14-17)20(12-16-4-2-1-3-5-16)29-25(34)23-10-11-24(38-23)26(35)36/h1-11,13-15,20H,12H2,(H,29,34)(H,35,36)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589707
(CHEMBL5171607)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589716
(CHEMBL5173926)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(I)c2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589715
(CHEMBL5198312)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589713
(CHEMBL5194064)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50389433
(CHEMBL2064616)Show SMILES OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1Br |r| Show InChI InChI=1S/C21H30BrNO/c22-19-8-4-3-7-18(19)15-9-11-23(12-10-15)20-13-16-5-1-2-6-17(16)14-21(20)24/h3-4,7-8,15-17,20-21,24H,1-2,5-6,9-14H2/t16-,17-,20?,21?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589708
(CHEMBL5186452)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589714
(CHEMBL5203770)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589704
(CHEMBL5171303)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589712
(CHEMBL5196435)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589715
(CHEMBL5198312)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50389435
(CHEMBL2064617)Show SMILES OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2/t18-,19-,20?,21?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 60 mins by liquid scintillation counting in presence of DT... |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50389433
(CHEMBL2064616)Show SMILES OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1Br |r| Show InChI InChI=1S/C21H30BrNO/c22-19-8-4-3-7-18(19)15-9-11-23(12-10-15)20-13-16-5-1-2-6-17(16)14-21(20)24/h3-4,7-8,15-17,20-21,24H,1-2,5-6,9-14H2/t16-,17-,20?,21?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 60 mins by liquid scintillation counting in presence of DT... |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589717
(CHEMBL5176294)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(I)c2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589717
(CHEMBL5176294)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(I)c2)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589706
(CHEMBL5172461)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589705
(CHEMBL5191856)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM419913
(US10472344, Example 7)Show SMILES COCC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C30H26ClN7O4/c1-42-18-29(39)33-24-11-7-21(8-12-24)30(40)34-26(15-20-5-3-2-4-6-20)28-13-9-22(17-38(28)41)25-16-23(31)10-14-27(25)37-19-32-35-36-37/h2-14,16-17,19,26H,15,18H2,1H3,(H,33,39)(H,34,40)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50389432
(CHEMBL2064618)Show SMILES OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1I |r| Show InChI InChI=1S/C21H30INO/c22-19-8-4-3-7-18(19)15-9-11-23(12-10-15)20-13-16-5-1-2-6-17(16)14-21(20)24/h3-4,7-8,15-17,20-21,24H,1-2,5-6,9-14H2/t16-,17-,20?,21?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 60 mins by liquid scintillation counting in presence of DT... |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589707
(CHEMBL5171607)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589710
(CHEMBL5195262)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50018078
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...)Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM419907
((S)-2-(1-(3-AMMONIO-1H-INDAZOLE-6-CARBOXAMIDO)-2-P...)Show SMILES Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589706
(CHEMBL5172461)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589709
(CHEMBL5173504)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50389432
(CHEMBL2064618)Show SMILES OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1I |r| Show InChI InChI=1S/C21H30INO/c22-19-8-4-3-7-18(19)15-9-11-23(12-10-15)20-13-16-5-1-2-6-17(16)14-21(20)24/h3-4,7-8,15-17,20-21,24H,1-2,5-6,9-14H2/t16-,17-,20?,21?/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50018078
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...)Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 32.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589705
(CHEMBL5191856)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Vesicular acetylcholine transporter
(Rattus norvegicus) | BDBM50018078
(2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...)Show InChI InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 33.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 60 mins by liquid scintillation counting in presence of DT... |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM419910
(US10472344, Example 4)Show SMILES NC(=O)c1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H20ClN7O3S/c27-18-7-9-21(33-15-29-31-32-33)19(13-18)17-6-8-22(34(37)14-17)20(12-16-4-2-1-3-5-16)30-26(36)24-11-10-23(38-24)25(28)35/h1-11,13-15,20H,12H2,(H2,28,35)(H,30,36)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50589711
(CHEMBL5183643)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589704
(CHEMBL5171303)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589708
(CHEMBL5186452)Show SMILES O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM330037
(US9663527, Example 3)Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1Cc2cc(C[NH3+])ccc2C1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MERCK SHARP & DOHME CORP.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US9663527 (2017)
BindingDB Entry DOI: 10.7270/Q2862JJQ |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589716
(CHEMBL5173926)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(I)c2)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50389435
(CHEMBL2064617)Show SMILES OC1C[C@@H]2CCCC[C@H]2CC1N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C21H31NO/c23-21-15-19-9-5-4-8-18(19)14-20(21)22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-3,6-7,17-21,23H,4-5,8-15H2/t18-,19-,20?,21?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 74.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting |
Bioorg Med Chem 20: 4936-41 (2012)
Article DOI: 10.1016/j.bmc.2012.06.040
BindingDB Entry DOI: 10.7270/Q24B32DN |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM419911
(US10472344, Example 5)Show SMILES OC(=O)c1ccc(cc1)C(=O)NC(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C28H21ClN6O4/c29-22-11-13-25(34-17-30-32-33-34)23(15-22)21-10-12-26(35(39)16-21)24(14-18-4-2-1-3-5-18)31-27(36)19-6-8-20(9-7-19)28(37)38/h1-13,15-17,24H,14H2,(H,31,36)(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM419908
(US10472344, Example 2)Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C29H24ClN7O4/c1-41-29(39)32-23-11-7-20(8-12-23)28(38)33-25(15-19-5-3-2-4-6-19)27-13-9-21(17-37(27)40)24-16-22(30)10-14-26(24)36-18-31-34-35-36/h2-14,16-18,25H,15H2,1H3,(H,32,39)(H,33,38)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe... |
US Patent US10472344 (2019)
BindingDB Entry DOI: 10.7270/Q2Q52S04 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(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 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50589711
(CHEMBL5183643)Show SMILES O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00099g
BindingDB Entry DOI: 10.7270/Q22B930B |
More data for this
Ligand-Target Pair | |
Search and Browse
