Found 857 hits with Last Name = 'hori' and Initial = 'm' 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 |
|---|
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50351401
(CHEMBL1819091)Show SMILES CC[C@@]1(N)CCCN(C1)c1cc2n(C)c(=O)n(C)c(=O)c2n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-23(26)8-5-9-29(14-23)19-11-18-20(21(31)28(3)22(32)27(18)2)30(19)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis |
Bioorg Med Chem 19: 5490-9 (2011)
Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50351399
(CHEMBL1819089)Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis |
Bioorg Med Chem 19: 5490-9 (2011)
Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6 |
More data for this
Ligand-Target Pair | |
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
antibodypedia
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
antibodypedia
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
KEGG
UniProtKB/SwissProt
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| Purchase
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)) | 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 | |
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
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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| 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 | |
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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| 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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
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antibodypedia
GoogleScholar
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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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 | |
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 | |
D(2) 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
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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(2) 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
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TBA
| Assay Description
Binding affinity to human dopamine D2 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)) | BDBM50569110
(CHEMBL4852403)Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:4,t:8| | PDB
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TBA
| Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(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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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(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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| 44 | 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 | |
ATP-binding cassette sub-family C member 2
(Rattus norvegicus) | BDBM50485593
(CHEMBL2074809)Show SMILES N[C@@H](CCC(=O)N[C@@H](CSc1c(Br)c2C(=O)OC(c2c(Br)c1Br)(c1ccc(O)c(c1)S(O)(=O)=O)c1ccc(O)c(c1)S(O)(=O)=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C30H26Br3N3O16S3/c31-23-21-22(24(32)25(33)26(23)53-10-14(27(42)35-9-20(40)41)36-19(39)6-3-13(34)28(43)44)30(52-29(21)45,11-1-4-15(37)17(7-11)54(46,47)48)12-2-5-16(38)18(8-12)55(49,50)51/h1-2,4-5,7-8,13-14,37-38H,3,6,9-10,34H2,(H,35,42)(H,36,39)(H,40,41)(H,43,44)(H,46,47,48)(H,49,50,51)/t13-,14-/m0/s1 | PDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat |
Drug Metab Pharmacokinet 17: 23-33 (2002)
Article DOI: 10.2133/dmpk.17.23
BindingDB Entry DOI: 10.7270/Q22B91VQ |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(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
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| 47 | 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(2) 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
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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)) | BDBM50547400
(CHEMBL4779001)Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |r,c:2,t:9| | PDB
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| 51 | 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)) | BDBM50547399
(CHEMBL4782694)Show SMILES CN1CCC(=CC1(C)C)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |c:4,t:10| | PDB
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| 55 | 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)) | BDBM50569112
(CHEMBL4865663)Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(C)cc12 |c:4,t:8| | PDB
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(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
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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(2) 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
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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(2) 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
Reactome pathway
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| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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)) | BDBM50122054
(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2 | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50569113
(CHEMBL4868181)Show SMILES CCc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17| | PDB
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM11695
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1 | PDB
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| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of DPP9 |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50569111
(CHEMBL4873426)Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |c:4,t:8| | PDB
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| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T |
More data for this
Ligand-Target Pair | |
D(2) 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
Reactome pathway
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| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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(2) 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
Reactome pathway
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| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50569117
(CHEMBL4875709)Show SMILES CN1CCC(=CC1)C1=Nc2cc(F)ccc2Nc2ccc(Cl)cc12 |c:4,t:8| | PDB
Reactome pathway
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| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T |
More data for this
Ligand-Target Pair | |
D(2) 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
Reactome pathway
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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(2) 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
Reactome pathway
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| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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(2) 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
Reactome pathway
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| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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(2) 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
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| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dopamine D2 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 | |
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