Found 101 hits with Last Name = 'nakako' and Initial = 't' 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 |
|---|
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50569110
(CHEMBL4852403)Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:4,t:8| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 35 | 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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| DrugBank
Article
PubMed
| 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)) | BDBM50569112
(CHEMBL4865663)Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(C)cc12 |c:4,t:8| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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(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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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 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
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50569111
(CHEMBL4873426)Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |c:4,t:8| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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)) | BDBM50569117
(CHEMBL4875709)Show SMILES CN1CCC(=CC1)C1=Nc2cc(F)ccc2Nc2ccc(Cl)cc12 |c:4,t:8| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 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)) | BDBM50569113
(CHEMBL4868181)Show SMILES CCc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 274 | 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)) | BDBM50569116
(CHEMBL4855524)Show SMILES COc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17| | PDB
Reactome pathway
KEGG
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 329 | 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)) | BDBM50569114
(CHEMBL4853957)Show SMILES CCN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:5,t:9| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 340 | 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(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50547398
(CHEMBL4748915)Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |c:4,t:8| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 380 | 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)) | 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
Reactome pathway
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CHEMBL
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PC cid
PC sid
PDB
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| DrugBank
Article
PubMed
| 389 | 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)) | BDBM50569110
(CHEMBL4852403)Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:4,t:8| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 410 | 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)) | BDBM50569111
(CHEMBL4873426)Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |c:4,t:8| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 447 | 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)) | 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
Reactome pathway
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CHEMBL
MCE
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PC sid
UniChem
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| Article
PubMed
| 489 | 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)) | BDBM50569112
(CHEMBL4865663)Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(C)cc12 |c:4,t:8| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 694 | 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)) | BDBM50569119
(CHEMBL4856628)Show SMILES Cc1ccc2Nc3ccc(F)cc3C(=Nc2c1)C1=CCNCC1 |c:14,t:20| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 848 | 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)) | BDBM50547398
(CHEMBL4748915)Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |c:4,t:8| | PDB
Reactome pathway
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UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.39E+3 | 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044633
(CHEMBL3310801)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(N)=O)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C21H31N5O3/c1-2-29-20(28)25-10-5-16(6-11-25)14-24-12-7-21(8-13-24)15-26(19(22)27)18-17(21)4-3-9-23-18/h3-4,9,16H,2,5-8,10-15H2,1H3,(H2,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044630
(CHEMBL3310798)Show SMILES CCNC(=O)N1CC2(CCN(CC3CCN(CC3)C(=O)OCC)CC2)c2cccnc12 Show InChI InChI=1S/C23H35N5O3/c1-3-24-21(29)28-17-23(19-6-5-11-25-20(19)28)9-14-26(15-10-23)16-18-7-12-27(13-8-18)22(30)31-4-2/h5-6,11,18H,3-4,7-10,12-17H2,1-2H3,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044632
(CHEMBL3310800)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)NC)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C22H33N5O3/c1-3-30-21(29)26-11-6-17(7-12-26)15-25-13-8-22(9-14-25)16-27(20(28)23-2)19-18(22)5-4-10-24-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3,(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492651
(CHEMBL2407175)Show SMILES CCCN1C(=O)CC2(CCN(CC3CCN(CC3)C(=O)OCC)CC2)c2cccnc12 Show InChI InChI=1S/C24H36N4O3/c1-3-12-28-21(29)17-24(20-6-5-11-25-22(20)28)9-15-26(16-10-24)18-19-7-13-27(14-8-19)23(30)31-4-2/h5-6,11,19H,3-4,7-10,12-18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated planar patch-clamp system |
Bioorg Med Chem Lett 23: 4644-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428141
(CHEMBL2336055)Show SMILES CCOC(=O)N1CCC(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r| Show InChI InChI=1S/C21H29N3O3/c1-2-27-21(26)23-11-7-16(8-12-23)14-22-10-9-18(15-22)24-19-6-4-3-5-17(19)13-20(24)25/h3-6,16,18H,2,7-15H2,1H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique |
ACS Med Chem Lett 4: 244-8 (2013)
Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492655
(CHEMBL2407171)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)Nc2ncccc32)CC1 Show InChI InChI=1S/C20H28N4O4/c1-2-27-19(26)24-10-5-15(6-11-24)14-23-12-7-20(8-13-23)16-4-3-9-21-17(16)22-18(25)28-20/h3-4,9,15H,2,5-8,10-14H2,1H3,(H,21,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated planar patch-clamp system |
Bioorg Med Chem Lett 23: 4644-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492654
(CHEMBL2407170)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)N(C)c2ncccc32)CC1 Show InChI InChI=1S/C21H30N4O4/c1-3-28-20(27)25-11-6-16(7-12-25)15-24-13-8-21(9-14-24)17-5-4-10-22-18(17)23(2)19(26)29-21/h4-5,10,16H,3,6-9,11-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated planar patch-clamp system |
Bioorg Med Chem Lett 23: 4644-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019335
(CHEMBL3289440)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG tail current after 5 mins by patch-clamp method |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019335
(CHEMBL3289440)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428138
(CHEMBL2336059)Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8| Show InChI InChI=1S/C23H31N3O3/c1-2-29-23(28)25-18-7-8-19(25)12-16(11-18)14-24-10-9-20(15-24)26-21-6-4-3-5-17(21)13-22(26)27/h3-6,16,18-20H,2,7-15H2,1H3/t16-,18-,19+,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique |
ACS Med Chem Lett 4: 244-8 (2013)
Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044631
(CHEMBL3310799)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(CC)CC)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C25H39N5O3/c1-4-28(5-2)23(31)30-19-25(21-8-7-13-26-22(21)30)11-16-27(17-12-25)18-20-9-14-29(15-10-20)24(32)33-6-3/h7-8,13,20H,4-6,9-12,14-19H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492653
(CHEMBL2407173)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(C)c2ncccc32)CC1 Show InChI InChI=1S/C22H32N4O3/c1-3-29-21(28)26-11-6-17(7-12-26)16-25-13-8-22(9-14-25)15-19(27)24(2)20-18(22)5-4-10-23-20/h4-5,10,17H,3,6-9,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated planar patch-clamp system |
Bioorg Med Chem Lett 23: 4644-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019334
(CHEMBL3289444)Show SMILES CC(C)OC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C23H36N4O4S/c1-18(2)31-21(28)26-14-7-22(3,8-15-26)16-25-12-9-23(10-13-25)17-27(32(4,29)30)20-19(23)6-5-11-24-20/h5-6,11,18H,7-10,12-17H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG tail current after 5 mins by patch-clamp method |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50492652
(CHEMBL2407172)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)Nc2ncccc32)CC1 Show InChI InChI=1S/C21H30N4O3/c1-2-28-20(27)25-10-5-16(6-11-25)15-24-12-7-21(8-13-24)14-18(26)23-19-17(21)4-3-9-22-19/h3-4,9,16H,2,5-8,10-15H2,1H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated planar patch-clamp system |
Bioorg Med Chem Lett 23: 4644-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044629
(CHEMBL2407174)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(CC)c2ncccc32)CC1 Show InChI InChI=1S/C23H34N4O3/c1-3-27-20(28)16-23(19-6-5-11-24-21(19)27)9-14-25(15-10-23)17-18-7-12-26(13-8-18)22(29)30-4-2/h5-6,11,18H,3-4,7-10,12-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044629
(CHEMBL2407174)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(CC)c2ncccc32)CC1 Show InChI InChI=1S/C23H34N4O3/c1-3-27-20(28)16-23(19-6-5-11-24-21(19)27)9-14-25(15-10-23)17-18-7-12-26(13-8-18)22(29)30-4-2/h5-6,11,18H,3-4,7-10,12-17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by automated planar patch-clamp system |
Bioorg Med Chem Lett 23: 4644-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428140
(CHEMBL2336056)Show SMILES CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r| Show InChI InChI=1S/C22H31N3O3/c1-3-28-21(27)24-12-9-22(2,10-13-24)16-23-11-8-18(15-23)25-19-7-5-4-6-17(19)14-20(25)26/h4-7,18H,3,8-16H2,1-2H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique |
ACS Med Chem Lett 4: 244-8 (2013)
Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019336
(CHEMBL3289442)Show SMILES CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,4,7-10,12-17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG tail current after 5 mins by patch-clamp method |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50428139
(CHEMBL2336057)Show SMILES CCOC(=O)N1CCC(O)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r| Show InChI InChI=1S/C21H29N3O4/c1-2-28-20(26)23-11-8-21(27,9-12-23)15-22-10-7-17(14-22)24-18-6-4-3-5-16(18)13-19(24)25/h3-6,17,27H,2,7-15H2,1H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique |
ACS Med Chem Lett 4: 244-8 (2013)
Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044634
(CHEMBL3310802)Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3 | PDB
MMDB
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UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019337
(CHEMBL3289443)Show SMILES COC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C21H32N4O4S/c1-20(6-13-24(14-7-20)19(26)29-2)15-23-11-8-21(9-12-23)16-25(30(3,27)28)18-17(21)5-4-10-22-18/h4-5,10H,6-9,11-16H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG tail current after 5 mins by patch-clamp method |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50019336
(CHEMBL3289442)Show SMILES CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,4,7-10,12-17H2,1-3H3 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50019335
(CHEMBL3289440)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50019335
(CHEMBL3289440)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 352 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50044634
(CHEMBL3310802)Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) by calcium mobilization assay |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50044634
(CHEMBL3310802)Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 133 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) by calcium mobilization assay |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50130927
(CHEMBL3633184)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 86 | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co. Ltd.
Curated by ChEMBL
| Assay Description
Partial agonist activity at human muscarinic M4 acetylcholine receptor expressed in CHO cells co-expressing Galpha16 assessed as calcium mobilization... |
Bioorg Med Chem Lett 25: 5357-61 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2 |
More data for this
Ligand-Target Pair | |
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