Found 159 hits with Last Name = 'ackley' and Initial = 'ma' 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 2C8
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
KEGG
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UniChem
| Article
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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UniChem
| Article
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 (unknown origin) by patch clamp assay |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of Cav1.2 (unknown origin) by patch clamp assay |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of Kv1.5 (unknown origin) by patch clamp assay |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of HCN2 (unknown origin) by patch clamp assay |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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PC sid
UniChem
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
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| Article
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Inward rectifier potassium channel 2
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of Kir2.1 (unknown origin) by patch clamp assay |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
KEGG
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of KCNQ1/minK (unknown origin) by patch clamp assay |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Kv channel-interacting protein 2/Potassium voltage-gated channel subfamily D member 3
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of Kv4.3(unknown origin)/KChIP2.2 (unknown origin) by patch clamp assay |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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PC cid
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC cid
PC sid
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF21A
(Homo sapiens) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
Reactome pathway
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50597430
(DALZANEMDOR | Dalzanemdor)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00313
BindingDB Entry DOI: 10.7270/Q2XK8KM0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50191342
(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 237 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258228
(CHEMBL4078922)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3nccc3C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H38N2O2/c1-16-10-13-26-27(16)15-23(28)22-7-6-21-20-5-4-17-14-24(2,29)11-8-18(17)19(20)9-12-25(21,22)3/h10,13,17-22,29H,4-9,11-12,14-15H2,1-3H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta
(Homo sapiens (Human)) | BDBM50191342
(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta
(Homo sapiens (Human)) | BDBM50258253
(CHEMBL4085062)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(Cl)cn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H35ClN2O2/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-27-13-16(25)12-26-27/h12-13,15,17-21,29H,3-11,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 744 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta
(Homo sapiens (Human)) | BDBM50258248
(CHEMBL4084134)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@](O)(COC)CC[C@]12[H] |r| Show InChI InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3/t18-,19+,20-,21-,22+,23-,25+,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Patents
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PubMed
| n/a | n/a | n/a | n/a | 577 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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PC sid
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| n/a | n/a | n/a | n/a | 299 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258239
(CHEMBL4091891)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)[N+]([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H35N3O4/c1-23(29)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(28)14-26-13-16(12-25-26)27(30)31/h12-13,15,17-21,29H,3-11,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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Similars
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| n/a | n/a | n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258255
(CHEMBL4062424)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3ncc(C)n3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H37N3O2/c1-15-13-25-27(26-15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24+/m1/s1 | PDB
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PC sid
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| n/a | n/a | n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258256
(CHEMBL3427532)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3nccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,22-,23+/m1/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258216
(CHEMBL4105630)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258229
(CHEMBL4103751)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35F3N2O2/c1-23(32)9-7-17-15(11-23)3-4-19-18(17)8-10-24(2)20(19)5-6-21(24)22(31)14-30-13-16(12-29-30)25(26,27)28/h12-13,15,17-21,32H,3-11,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,23-,24+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258248
(CHEMBL4084134)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@](O)(COC)CC[C@]12[H] |r| Show InChI InChI=1S/C26H37N3O3/c1-25-9-7-20-19-8-10-26(31,16-32-2)11-18(19)3-4-21(20)22(25)5-6-23(25)24(30)15-29-14-17(12-27)13-28-29/h13-14,18-23,31H,3-11,15-16H2,1-2H3/t18-,19+,20-,21-,22+,23-,25+,26-/m1/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258249
(CHEMBL4080678)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3nncc3C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H37N3O2/c1-15-13-25-26-27(15)14-22(28)21-7-6-20-19-5-4-16-12-23(2,29)10-8-17(16)18(19)9-11-24(20,21)3/h13,16-21,29H,4-12,14H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta
(Homo sapiens (Human)) | BDBM50258217
(CHEMBL3427530)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3/t16-,17+,18-,19-,20+,21-,23-,24+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258244
(CHEMBL4100583)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@](O)(CC)CC[C@]12[H] |r| Show InChI InChI=1S/C26H37N3O2/c1-3-26(31)11-9-19-18(12-26)4-5-21-20(19)8-10-25(2)22(21)6-7-23(25)24(30)16-29-15-17(13-27)14-28-29/h14-15,18-23,31H,3-12,16H2,1-2H3/t18-,19+,20-,21-,22+,23-,25+,26-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258254
(CHEMBL4073780)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3ccc(n3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3/t16-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta
(Homo sapiens (Human)) | BDBM50258256
(CHEMBL3427532)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3nccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C23H35N3O2/c1-22(28)9-7-16-15(13-22)3-4-18-17(16)8-10-23(2)19(18)5-6-20(23)21(27)14-26-24-11-12-25-26/h11-12,15-20,28H,3-10,13-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,22-,23+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258252
(CHEMBL4073679)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(C)cn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H38N2O2/c1-16-13-26-27(14-16)15-23(28)22-7-6-21-20-5-4-17-12-24(2,29)10-8-18(17)19(20)9-11-25(21,22)3/h13-14,17-22,29H,4-12,15H2,1-3H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 291 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258243
(CHEMBL4081622)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(OC)cn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H38N2O3/c1-24(29)10-8-18-16(12-24)4-5-20-19(18)9-11-25(2)21(20)6-7-22(25)23(28)15-27-14-17(30-3)13-26-27/h13-14,16,18-22,29H,4-12,15H2,1-3H3/t16-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta
(Homo sapiens (Human)) | BDBM50258254
(CHEMBL4073780)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3ccc(n3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H35N3O2/c1-24(30)10-7-18-16(13-24)3-4-20-19(18)8-11-25(2)21(20)5-6-22(25)23(29)15-28-12-9-17(14-26)27-28/h9,12,16,18-22,30H,3-8,10-11,13,15H2,1-2H3/t16-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
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Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258217
(CHEMBL3427530)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C24H36N2O2/c1-23(28)10-8-17-16(14-23)4-5-19-18(17)9-11-24(2)20(19)6-7-21(24)22(27)15-26-13-3-12-25-26/h3,12-13,16-21,28H,4-11,14-15H2,1-2H3/t16-,17+,18-,19-,20+,21-,23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | n/a | n/a | 979 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50258218
(CHEMBL4103198)Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3ccc(C)n3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r| Show InChI InChI=1S/C25H38N2O2/c1-16-10-13-27(26-16)15-23(28)22-7-6-21-20-5-4-17-14-24(2,29)11-8-18(17)19(20)9-12-25(21,22)3/h10,13,17-22,29H,4-9,11-12,14-15H2,1-3H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
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| n/a | n/a | n/a | n/a | >3.65E+3 | n/a | n/a | n/a | n/a |
Sage Therapeutics, Inc. 215 First Street, Cambridge, Massachusetts 02142, United States.
Curated by ChEMBL
| Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med... |
J Med Chem 60: 7810-7819 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00846
BindingDB Entry DOI: 10.7270/Q2ZK5K4W |
More data for this
Ligand-Target Pair | |
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