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Compile Data Set for Download or QSAR

Found 487 hits with Last Name = 'imagawa' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553757
PNG
(CHEMBL4746471)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cc3OC(F)(F)F)cnc12
PDB

KEGG

UniProtKB/SwissProt

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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553762
PNG
(CHEMBL4758608)
Show SMILES Cc1cc(Nc2ccc(cn2)-c2cnc3ncccn23)nc2n(CC3CC3)cnc12
PDB

KEGG

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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553754
PNG
(CHEMBL4746482)
Show SMILES CN1C(=O)COc2cc(Nc3cc(c4ncn(CC5CC5)c4n3)C(F)(F)F)cnc12
PDB

KEGG

UniProtKB/SwissProt

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553763
PNG
(CHEMBL4785208)
Show SMILES Cc1cc(Nc2ccc(cn2)-n2ccnc2)nc2n(CC3CC3)cnc12
PDB

KEGG

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553761
PNG
(CHEMBL4756857)
Show SMILES Cc1nnc(o1)-c1ccc(Nc2cc(C)c3ncn(CC4CC4)c3n2)nc1
PDB

KEGG

UniProtKB/SwissProt

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553764
PNG
(CHEMBL4749423)
Show SMILES Fc1cc(Nc2nc3n(CC4CC4)cnc3c(F)c2F)ccc1-n1ccnc1
PDB

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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553760
PNG
(CHEMBL4757188)
Show SMILES FC(F)(F)c1cc(Nc2ccc(nc2)-n2cnc(Cl)c2)nc2n(cnc12)C1CC1
PDB

KEGG

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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553753
PNG
(CHEMBL4799496)
Show SMILES CN1C(=O)COc2cc(Nc3cc(C)c4ncn(CC5CC5)c4n3)cnc12
PDB

KEGG

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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553759
PNG
(CHEMBL4760677)
Show SMILES Cc1cc(Nc2ccc(cn2)-c2ccncc2)nc2n(cnc12)C1CC1
PDB

KEGG

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UniChem
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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM400240
PNG
(7-((1-(Cyclopropylmethyl)-5-fluoro-4-methyl-1H-ben...)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)c3F)cnc12
Show InChI InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3
PDB

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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50526866
PNG
(CHEMBL4581355)
Show SMILES Cc1c(F)c(Nc2ccc(cn2)-c2cn(C)cn2)cc2n(CC3CC3)cnc12
Show InChI InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553765
PNG
(CHEMBL4754539)
Show SMILES Cc1c(F)c(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12
PDB

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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553749
PNG
(CHEMBL4761336)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ncc12
PDB

KEGG

UniProtKB/SwissProt

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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553747
PNG
(CHEMBL4753738)
Show SMILES CN1C(=O)C(F)(F)Oc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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PubMed
11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553758
PNG
(CHEMBL4800521)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cc3F)cnc12
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553756
PNG
(CHEMBL4785991)
Show SMILES CN1C(=O)COc2cc(Nc3nc(C)c4ncn(CC5CC5)c4n3)cnc12
PDB

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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM400242
PNG
(N-(6-(1H-Imidazol-1-yl)pyridin-3-yl)-3-(cyclopropy...)
Show SMILES Cc1cc(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12
Show InChI InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24)
PDB

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PubMed
15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553745
PNG
(CHEMBL4785872)
Show SMILES CN1C(=O)CCc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553755
PNG
(CHEMBL4794600)
Show SMILES CN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)cnc12
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553741
PNG
(CHEMBL4748984)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553746
PNG
(CHEMBL4764668)
Show SMILES CC1Oc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N(C)C1=O
PDB

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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553752
PNG
(CHEMBL4796770)
Show SMILES CN1C(=O)COc2cc(Nc3ccc4ncn(CC5CC5)c4n3)cnc12
PDB

KEGG

UniProtKB/SwissProt

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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553750
PNG
(CHEMBL4761610)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)cnc12
PDB

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38n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553742
PNG
(CHEMBL4759403)
Show SMILES O=C1COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N1
PDB

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42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553748
PNG
(CHEMBL4794167)
Show SMILES CN1C(=O)COc2nc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12
PDB

KEGG

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45n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553751
PNG
(CHEMBL4759785)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)n3)cnc12
PDB

KEGG

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58n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553744
PNG
(CHEMBL4741416)
Show SMILES Cn1c2ccc(Nc3cc4n(CC5CC5)cnc4cn3)cc2oc1=O
PDB

KEGG

UniProtKB/SwissProt

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62n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553743
PNG
(CHEMBL4760815)
Show SMILES CN1C(=O)COc2ccc(Nc3cc4n(CC5CC5)cnc4cn3)cc12
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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65n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553734
PNG
(CHEMBL4778552)
Show SMILES COc1ccc(Nc2cc3n(CC4CC4)cnc3cn2)c(OC)c1
PDB

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76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553740
PNG
(CHEMBL4776208)
Show SMILES Cc1nc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2o1
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85n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553738
PNG
(CHEMBL4747349)
Show SMILES C(C1CC1)n1cnc2cnc(Nc3cccc(c3)N3CCOCC3)cc12
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119n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553739
PNG
(CHEMBL4585261)
Show SMILES CC(=O)Nc1cccc(Nc2cc3n(CC4CC4)cnc3cn2)c1
PDB

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319n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553735
PNG
(CHEMBL4792380)
Show SMILES COc1ccc(Nc2cc3n(CC4CC4)cnc3cn2)cc1
PDB

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459n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553736
PNG
(CHEMBL4798572)
Show SMILES C(C1CC1)n1cnc2cnc(Nc3ccccc3)cc12
PDB

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972n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50553737
PNG
(CHEMBL4796860)
Show SMILES C(Nc1cc2n(CC3CC3)cnc2cn1)C1CC1
PDB

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>1.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104905
PNG
(CHEMBL3597618)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)
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n/an/a 0.220n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104904
PNG
(CHEMBL3597617)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32ClNO5/c1-22-25(8-6-11-30(22)34)7-3-4-20-40-27-16-13-24(14-17-27)12-15-26-9-5-10-29-28(18-19-31(36)37)23(2)35(33(26)29)21-32(38)39/h5-6,8-11,13-14,16-17H,3-4,7,18-21H2,1-2H3,(H,36,37)(H,38,39)
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n/an/a 0.320n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104883
PNG
(CHEMBL3597616)
Show SMILES Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C32H30ClNO5/c1-21-24(8-6-11-29(21)33)7-3-4-18-39-26-16-13-23(14-17-26)12-15-25-9-5-10-27-28(19-30(35)36)22(2)34(32(25)27)20-31(37)38/h5-6,8-11,13-14,16-17H,3-4,7,18-20H2,1-2H3,(H,35,36)(H,37,38)
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n/an/a 0.470n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104872
PNG
(CHEMBL3597535)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H36ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+
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n/an/a 0.560n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104864
PNG
(CHEMBL3597527)
Show SMILES Cc1c(Cl)cccc1CCCCOc1ccc(\C=C\c2cccc3c(CCCC(O)=O)cn(CC(O)=O)c23)cc1
Show InChI InChI=1S/C33H34ClNO5/c1-23-25(8-5-12-30(23)34)7-2-3-20-40-28-18-15-24(16-19-28)14-17-26-9-4-11-29-27(10-6-13-31(36)37)21-35(33(26)29)22-32(38)39/h4-5,8-9,11-12,14-19,21H,2-3,6-7,10,13,20,22H2,1H3,(H,36,37)(H,38,39)/b17-14+
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n/an/a 0.620n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104910
PNG
(CHEMBL3597623)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C35H36ClNO5/c1-24-27(9-6-12-32(24)36)8-3-4-23-42-29-18-15-26(16-19-29)14-17-28-10-5-11-31-30(20-21-34(40)41)25(2)37(35(28)31)22-7-13-33(38)39/h5-6,9-12,15-16,18-19H,3-4,7-8,13,20-23H2,1-2H3,(H,38,39)(H,40,41)
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n/an/a 0.790n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104869
PNG
(CHEMBL3597532)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-25(8-5-10-28(39)40)26-9-4-7-22(33(26)38(20)19-29(41)42)14-11-21-12-15-24(16-13-21)43-17-3-2-6-23-18-27(34)31(36)32(37)30(23)35/h4,7,9,11-16,18H,2-3,5-6,8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
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n/an/a 0.800n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))
BDBM50104905
PNG
(CHEMBL3597618)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)
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n/an/a 0.880n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))
BDBM50104883
PNG
(CHEMBL3597616)
Show SMILES Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C32H30ClNO5/c1-21-24(8-6-11-29(21)33)7-3-4-18-39-26-16-13-23(14-17-26)12-15-25-9-5-10-27-28(19-30(35)36)22(2)34(32(25)27)20-31(37)38/h5-6,8-11,13-14,16-17H,3-4,7,18-20H2,1-2H3,(H,35,36)(H,37,38)
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n/an/a 0.890n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))
BDBM50104867
PNG
(CHEMBL3597530)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32F3NO5/c1-21-25(8-5-10-30(38)39)26-9-4-6-23(33(26)37(21)20-31(40)41)14-11-22-12-15-24(16-13-22)42-19-3-2-7-27-28(34)17-18-29(35)32(27)36/h4,6,9,11-18H,2-3,5,7-8,10,19-20H2,1H3,(H,38,39)(H,40,41)/b14-11+
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n/an/a 1n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104839
PNG
(CHEMBL3597525)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)cccc12
Show InChI InChI=1S/C32H30F3NO5/c33-27-16-17-28(34)31(35)26(27)7-1-2-18-41-24-14-11-21(12-15-24)10-13-22-5-3-8-25-23(6-4-9-29(37)38)19-36(32(22)25)20-30(39)40/h3,5,8,10-17,19H,1-2,4,6-7,9,18,20H2,(H,37,38)(H,39,40)/b13-10+
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n/an/a 1n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335414
PNG
(4-(2-{(3S)-8-chloro-7-[5-chloro-2-(1H-tetrazol-1-y...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2c(Cl)c(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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US Patent
n/an/a 1.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) wit...


US Patent US10717738 (2020)


BindingDB Entry DOI: 10.7270/Q2X92FBQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104871
PNG
(CHEMBL3597534)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H36FNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+
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n/an/a 1.10n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335416
PNG
(5-(2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1ccc(s1)-c1[nH]c(nc1F)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) wit...


US Patent US10717738 (2020)


BindingDB Entry DOI: 10.7270/Q2X92FBQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335414
PNG
(4-(2-{(3S)-8-chloro-7-[5-chloro-2-(1H-tetrazol-1-y...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2c(Cl)c(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...


US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair
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