Found 1883 hits with Last Name = 'watanabe' and Initial = 'h' 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 |
|---|
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50547388
(CHEMBL4758966)Show SMILES CCOc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:16,18| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human 5HT2A receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50547385
(CHEMBL4745124)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(C)cc12 |r,c:2,t:9| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human 5HT2A receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547397
(LU-31-130 | Lu 31-130 | Zicronapine)Show SMILES CN1CCN(CC1(C)C)[C@@H]1C[C@H](c2ccc(Cl)cc12)c1ccccc1 |r| | PDB
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50547386
(CHEMBL4760903)Show SMILES CCc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:15,17| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human 5HT2A receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50547389
(CHEMBL4745489)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(OC(F)(F)F)cc12 |r,c:2,t:9| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human 5HT2A receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547390
(CHEMBL4758723)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |r,c:2,t:9| | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human 5HT2A receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | 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
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547394
(CHEMBL4756254)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(Cl)cc12 |r,c:2,t:9| | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50492526
(CHEMBL2407616)Show InChI InChI=1S/C18H18FN3O/c1-22(2)14-5-3-13(4-6-14)18-12-20-17-11-15(23-10-9-19)7-8-16(17)21-18/h3-8,11-12H,9-10H2,1-2H3 | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.895 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting |
ACS Med Chem Lett 4: 596-600 (2013)
Article DOI: 10.1021/ml4000707
BindingDB Entry DOI: 10.7270/Q2RX9G0Z |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50492522
(CHEMBL2407622)Show InChI InChI=1S/C18H18FN3O/c1-22(2)14-5-3-13(4-6-14)18-12-20-17-11-15(23-10-9-19)7-8-16(17)21-18/h3-8,11-12H,9-10H2,1-2H3 | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.895 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Binding affinity to beta-amyloid plaque in Alzheimer's disease patient brain cortex after 1 hr by thioflavin-S based autoradiography |
ACS Med Chem Lett 4: 596-600 (2013)
Article DOI: 10.1021/ml4000707
BindingDB Entry DOI: 10.7270/Q2RX9G0Z |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50004823
((6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexah...)Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21 Show InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1 | PDB
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PC sid
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547391
(CHEMBL4795230)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(Cl)cc12 |r,c:2,t:9| | PDB
KEGG
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| 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 |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290098
((R)-3-Cyclohexylmethyl-1,8,8-trimethyl-3-aza-bicyc...)Show SMILES CC1(C)C2CC[C@@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C17H31N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15?,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547392
(CHEMBL4742056)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(cc12)C#N |r,c:2,t:9| | PDB
KEGG
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| 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 |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290099
((S)-3-(4-Cyclohexyl-butyl)-1,8,8-trimethyl-3-aza-b...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCCCC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C20H37N/c1-19(2)18-12-13-20(19,3)16-21(15-18)14-8-7-11-17-9-5-4-6-10-17/h17-18H,4-16H2,1-3H3/t18?,20-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290100
((S)-3-Cyclohexylmethyl-1,8,8-trimethyl-3-aza-bicyc...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C17H31N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15?,17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290095
((R)-3-(2-Cyclohexyl-ethyl)-1,8,8-trimethyl-3-aza-b...)Show SMILES CC1(C)C2CC[C@@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3/t16?,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547386
(CHEMBL4760903)Show SMILES CCc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:15,17| | PDB
KEGG
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| 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 |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human 5HT2A receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547396
(CHEMBL4740880)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |r,c:2,t:9| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290096
((S)-3-(2-Cyclopentyl-ethyl)-1,8,8-trimethyl-3-aza-...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C17H31N/c1-16(2)15-8-10-17(16,3)13-18(12-15)11-9-14-6-4-5-7-14/h14-15H,4-13H2,1-3H3/t15?,17-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547389
(CHEMBL4745489)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(OC(F)(F)F)cc12 |r,c:2,t:9| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547387
(CHEMBL4757297)Show SMILES COc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:15,17| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290094
((S)-3-(2-Cyclohexyl-ethyl)-1,8,8-trimethyl-3-aza-b...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3/t16?,18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547385
(CHEMBL4745124)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(C)cc12 |r,c:2,t:9| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547405
(CHEMBL4797375)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(OC(F)(F)F)cc12 |r,c:2,t:9| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290101
((S)-3-(3-Cyclohexyl-propyl)-1,8,8-trimethyl-3-aza-...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCCC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C19H35N/c1-18(2)17-11-12-19(18,3)15-20(14-17)13-7-10-16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290093
((S)-3-(2-Cyclooctyl-ethyl)-1,8,8-trimethyl-3-aza-b...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C20H37N/c1-19(2)18-11-13-20(19,3)16-21(15-18)14-12-17-9-7-5-4-6-8-10-17/h17-18H,4-16H2,1-3H3/t18?,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290092
((S)-3-(2-Cycloheptyl-ethyl)-1,8,8-trimethyl-3-aza-...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C19H35N/c1-18(2)17-10-12-19(18,3)15-20(14-17)13-11-16-8-6-4-5-7-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290097
((S)-3-Cyclohexyl-1,8,8-trimethyl-3-aza-bicyclo[3.2...)Show SMILES CC1(C)C2CC[C@]1(C)CN(C2)C1CCCCC1 |THB:11:9:1:5.4| Show InChI InChI=1S/C16H29N/c1-15(2)13-9-10-16(15,3)12-17(11-13)14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3/t13?,16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Patents
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| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547388
(CHEMBL4758966)Show SMILES CCOc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:16,18| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547395
(CHEMBL4756987)Show SMILES CCc1ccc2Nc3ccccc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:14,16| | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290091
((S)-3-(2-Adamantan-2-yl-ethyl)-1,8,8-trimethyl-3-a...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1C3CC4CC(C3)CC1C4)C2 |wD:6.7,TLB:11:12:14:17.18.16,THB:16:15:12:17.18.19,16:17:12:15.14.21,10:9:1:5.4,11:12:15.14.21:17.18.19,19:20:14:17.18.16,19:17:14:20.12.21,(-7.25,2.8,;-5.75,2.79,;-6.14,4.25,;-4.39,2.21,;-4,.76,;-4.93,-.34,;-4.93,1.16,;-6.43,1.16,;-2.69,2.13,;-1.35,1.44,;-.27,.4,;1.17,.82,;2.25,-.23,;2.88,-1.98,;2.25,-3.46,;3.36,-4.49,;5,-4.47,;5.66,-2.93,;4.41,-2.03,;5.18,-1.24,;3.56,-1.24,;2.87,-2.78,;-2.32,3.17,)| Show InChI InChI=1S/C22H37N/c1-21(2)19-4-6-22(21,3)14-23(13-19)7-5-20-17-9-15-8-16(11-17)12-18(20)10-15/h15-20H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50586369
(CHEMBL5094265)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1 using K4me2 peptide as substrate measured after 10 mins by peroxidase-coupled reaction assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01371
BindingDB Entry DOI: 10.7270/Q2KS6WFP |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547393
(CHEMBL4776090)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |r,c:2,t:9| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50334369
(3-(4-(Dimethylamino)phenyl)-1-(4-iodophenyl)-2-pro...)Show InChI InChI=1S/C17H14INO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-4,6-11H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting |
Bioorg Med Chem Lett 21: 117-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.058
BindingDB Entry DOI: 10.7270/Q2N87B2Z |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50122787
(2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...)Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting |
ACS Med Chem Lett 4: 596-600 (2013)
Article DOI: 10.1021/ml4000707
BindingDB Entry DOI: 10.7270/Q2RX9G0Z |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50586368
(CHEMBL5073848)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human LSD1 using K4me2 peptide as substrate measured after 10 mins by peroxidase-coupled reaction assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01371
BindingDB Entry DOI: 10.7270/Q2KS6WFP |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547406
(CHEMBL4793813)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2ccccc2Nc2ccc(C)cc12 |r,c:2,t:9| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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
| Assay Description
Binding affinity to human dopamine D1 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127563
BindingDB Entry DOI: 10.7270/Q26113Z0 |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50597540
(CHEMBL5201156) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1 |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50492518
(Florbetapir | US10906900, AV45)Show InChI InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting |
ACS Med Chem Lett 4: 596-600 (2013)
Article DOI: 10.1021/ml4000707
BindingDB Entry DOI: 10.7270/Q2RX9G0Z |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50597542
(CHEMBL5201621) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1 |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50334371
(3-(4-Methoxyphenyl)-1-(4-iodophenyl)-2-propyn-1-on...)Show InChI InChI=1S/C16H11IO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting |
Bioorg Med Chem Lett 21: 117-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.058
BindingDB Entry DOI: 10.7270/Q2N87B2Z |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50492516
(CHEMBL2407621)Show InChI InChI=1S/C17H16FN3O/c1-19-13-4-2-12(3-5-13)17-11-20-16-10-14(22-9-8-18)6-7-15(16)21-17/h2-7,10-11,19H,8-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Binding affinity to beta-amyloid plaque in Alzheimer's disease patient brain cortex after 1 hr by thioflavin-S based autoradiography |
ACS Med Chem Lett 4: 596-600 (2013)
Article DOI: 10.1021/ml4000707
BindingDB Entry DOI: 10.7270/Q2RX9G0Z |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50492519
(CHEMBL2407615)Show InChI InChI=1S/C17H16FN3O/c1-19-13-4-2-12(3-5-13)17-11-20-16-10-14(22-9-8-18)6-7-15(16)21-17/h2-7,10-11,19H,8-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting |
ACS Med Chem Lett 4: 596-600 (2013)
Article DOI: 10.1021/ml4000707
BindingDB Entry DOI: 10.7270/Q2RX9G0Z |
More data for this
Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50390102
(CHEMBL2069433)Show InChI InChI=1S/C17H15IN2O/c1-20(2)13-6-3-11(4-7-13)9-16-17(21)14-10-12(18)5-8-15(14)19-16/h3-10,19H,1-2H3/b16-9- | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Binding affinity to human Tau aggregates after 30 mins by Thioflavin-S-based fluorescence assay |
Bioorg Med Chem Lett 22: 5700-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.086
BindingDB Entry DOI: 10.7270/Q2TQ62K1 |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50334370
(3-(4-(Dimethylamino)phenyl)-1-(4-fruorophenyl)-2-p...)Show InChI InChI=1S/C17H14FNO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-4,6-11H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting |
Bioorg Med Chem Lett 21: 117-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.058
BindingDB Entry DOI: 10.7270/Q2N87B2Z |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50597543
(CHEMBL5182939) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM81982
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
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