BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 166 hits from ASKA Pharmaceutical Co., Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.72n/an/an/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3 receptor


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046030
PNG
(CHEMBL3310126)
Show SMILES Fc1ccc(cc1)-c1n[nH]c(CCCc2ccccc2)c1-c1ccncc1
Show InChI InChI=1S/C23H20FN3/c24-20-11-9-19(10-12-20)23-22(18-13-15-25-16-14-18)21(26-27-23)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16H,4,7-8H2,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131008
PNG
(US8829000, 70)
Show SMILES COc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n21
Show InChI InChI=1S/C20H24N4O3/c1-23(2)20(26)13-9-14-15(10-17(13)27-3)24-16(19(25)22-14)11-21-18(24)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330444
PNG
(3-Amino-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-y...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C24H25N7O3S/c25-30-23(32)19-8-7-18(31(33)34)16-21(19)27-24(30)35-15-3-10-28-11-13-29(14-12-28)22-9-6-17-4-1-2-5-20(17)26-22/h1-2,4-9,16H,3,10-15,25H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.40n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 8-hydroxy-[3H]DPAT from human recombinant 5HT1A receptor


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131014
PNG
(US8829000, 187)
Show SMILES OC(=O)CCc1ncc2n1c1ccc(cc1[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O3/c15-14(16,17)7-1-2-9-8(5-7)19-13(23)10-6-18-11(20(9)10)3-4-12(21)22/h1-2,5-6H,3-4H2,(H,19,23)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131013
PNG
(US8829000, 185)
Show SMILES CCc1ccc2c(c1)[nH]c(=O)c1cnc(CCC(O)=O)n21
Show InChI InChI=1S/C15H15N3O3/c1-2-9-3-4-11-10(7-9)17-15(21)12-8-16-13(18(11)12)5-6-14(19)20/h3-4,7-8H,2,5-6H2,1H3,(H,17,21)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330445
PNG
(7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
Show InChI InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046053
PNG
(CHEMBL3310146)
Show SMILES Fc1ccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)c(F)c1
Show InChI InChI=1S/C21H13ClF2N4O2/c22-15-4-2-1-3-12(15)9-18(29)27-21-19(17-7-8-25-11-26-17)20(28-30-21)14-6-5-13(23)10-16(14)24/h1-8,10-11H,9H2,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131010
PNG
(US8829000, 85)
Show SMILES CN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
Show InChI InChI=1S/C19H21ClN4O2/c1-23(2)19(26)12-8-14-15(9-13(12)20)24-16(18(25)22-14)10-21-17(24)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131012
PNG
(US8829000, 180)
Show SMILES OC(=O)CCc1ncc2n1c1ccc(Br)cc1[nH]c2=O
Show InChI InChI=1S/C13H10BrN3O3/c14-7-1-2-9-8(5-7)16-13(20)10-6-15-11(17(9)10)3-4-12(18)19/h1-2,5-6H,3-4H2,(H,16,20)(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131009
PNG
(US8829000, 82)
Show SMILES CCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n21
Show InChI InChI=1S/C21H26N4O3/c1-4-28-18-11-16-15(10-14(18)21(27)24(2)3)23-20(26)17-12-22-19(25(16)17)13-8-6-5-7-9-13/h10-13H,4-9H2,1-3H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.40n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046056
PNG
(CHEMBL3310149)
Show SMILES Cc1cccc(c1)-c1noc(NC(=O)Cc2ccccc2Cl)c1-c1ccncn1
Show InChI InChI=1S/C22H17ClN4O2/c1-14-5-4-7-16(11-14)21-20(18-9-10-24-13-25-18)22(29-27-21)26-19(28)12-15-6-2-3-8-17(15)23/h2-11,13H,12H2,1H3,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330446
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C20H26N6OS2/c1-14-15(2)29-18-17(14)19(27)26(21)20(23-18)28-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-22-16/h3-4,6-7H,5,8-13,21H2,1-2H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330447
PNG
(3-Amino-5,6-dimethyl-2-[3-[4-(4-methylquinolin-2-y...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C25H30N6OS2/c1-16-15-21(27-20-8-5-4-7-19(16)20)30-12-10-29(11-13-30)9-6-14-33-25-28-23-22(24(32)31(25)26)17(2)18(3)34-23/h4-5,7-8,15H,6,9-14,26H2,1-3H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330448
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CNCCc3c2c1=O
Show InChI InChI=1S/C25H29N7OS2/c26-32-24(33)22-18-8-9-27-16-20(18)35-23(22)29-25(32)34-15-3-10-30-11-13-31(14-12-30)21-7-6-17-4-1-2-5-19(17)28-21/h1-2,4-7,27H,3,8-16,26H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046057
PNG
(CHEMBL3310276)
Show SMILES Cc1ccccc1CC(=O)Nc1onc(c1-c1ccncn1)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C23H19FN4O2/c1-14-5-3-4-6-16(14)12-20(29)27-23-21(19-9-10-25-13-26-19)22(28-30-23)17-7-8-18(24)15(2)11-17/h3-11,13H,12H2,1-2H3,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330440
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C24H30N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,25H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046036
PNG
(CHEMBL3310130)
Show SMILES Cn1nc(NC(=O)Cc2ccccc2)c(c1-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C23H19FN4O/c1-28-22(18-7-9-19(24)10-8-18)21(17-11-13-25-14-12-17)23(27-28)26-20(29)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330449
PNG
(3-Amino-5,6-dimethyl-2-[3-[4-(5,6,7,8-tetrahydroqu...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4CCCCc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C24H32N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h8-9H,3-7,10-15,25H2,1-2H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330450
PNG
(2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...)
Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046048
PNG
(CHEMBL3310141)
Show SMILES Fc1ccc(cc1)-c1noc(NC(=O)Cc2ccccc2Cl)c1-c1ccncn1
Show InChI InChI=1S/C21H14ClFN4O2/c22-16-4-2-1-3-14(16)11-18(28)26-21-19(17-9-10-24-12-25-17)20(27-29-21)13-5-7-15(23)8-6-13/h1-10,12H,11H2,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.90n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330451
PNG
(5-Amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl...)
Show SMILES Nn1c(CCCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C26H34N6O/c27-32-25(29-23-11-6-4-9-21(23)26(32)33)12-2-1-7-15-30-16-18-31(19-17-30)24-14-13-20-8-3-5-10-22(20)28-24/h3,5,8,10,13-14H,1-2,4,6-7,9,11-12,15-19,27H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131016
PNG
(US8829000, Referential Example 1)
Show SMILES CC(C)c1n[nH]c2c1nc(Cc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C15H15ClN4O/c1-8(2)12-13-14(20-19-12)15(21)18-11(17-13)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,19,20)(H,17,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131011
PNG
(US8829000, 86)
Show SMILES OCCN1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
Show InChI InChI=1S/C23H28ClN5O3/c24-17-13-19-18(12-16(17)23(32)28-8-6-27(7-9-28)10-11-30)26-22(31)20-14-25-21(29(19)20)15-4-2-1-3-5-15/h12-15,30H,1-11H2,(H,26,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131015
PNG
(US8829000, 189)
Show SMILES OC(=O)\C=C\c1ccc2n1c1ccc(cc1[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C15H9F3N2O3/c16-15(17,18)8-1-4-11-10(7-8)19-14(23)12-5-2-9(20(11)12)3-6-13(21)22/h1-7H,(H,19,23)(H,21,22)/b6-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046050
PNG
(CHEMBL3310143)
Show SMILES Cc1ccc(C)c(CC(=O)Nc2onc(c2-c2ccncn2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H19FN4O2/c1-14-3-4-15(2)17(11-14)12-20(29)27-23-21(19-9-10-25-13-26-19)22(28-30-23)16-5-7-18(24)8-6-16/h3-11,13H,12H2,1-2H3,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.93n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human recombinant 5HT3 receptor


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131006
PNG
(US8829000, 6)
Show SMILES CC(C)c1ncc2n1c1ccc(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C13H12ClN3O/c1-7(2)12-15-6-11-13(18)16-9-5-8(14)3-4-10(9)17(11)12/h3-7H,1-2H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046052
PNG
(CHEMBL3310145)
Show SMILES Clc1ccc(cc1)-c1noc(NC(=O)Cc2ccccc2Cl)c1-c1ccncn1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-7-5-13(6-8-15)20-19(17-9-10-24-12-25-17)21(29-27-20)26-18(28)11-14-3-1-2-4-16(14)23/h1-10,12H,11H2,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046049
PNG
(CHEMBL3310142)
Show SMILES Fc1ccc(cc1)-c1noc(NC(=O)Cc2c(F)cccc2Cl)c1-c1ccncn1
Show InChI InChI=1S/C21H13ClF2N4O2/c22-15-2-1-3-16(24)14(15)10-18(29)27-21-19(17-8-9-25-11-26-17)20(28-30-21)12-4-6-13(23)7-5-12/h1-9,11H,10H2,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330452
PNG
(3-Amino-5-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Cc1cccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c12
Show InChI InChI=1S/C26H30N6O/c1-19-7-6-10-22-25(19)26(33)32(27)24(29-22)11-4-5-14-30-15-17-31(18-16-30)23-13-12-20-8-2-3-9-21(20)28-23/h2-3,6-10,12-13H,4-5,11,14-18,27H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.5n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330454
PNG
(3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Cc1cccc2c1nc(CCCCN1CCN(CC1)c1ccc3ccccc3n1)n(N)c2=O
Show InChI InChI=1S/C26H30N6O/c1-19-7-6-9-21-25(19)29-24(32(27)26(21)33)11-4-5-14-30-15-17-31(18-16-30)23-13-12-20-8-2-3-10-22(20)28-23/h2-3,6-10,12-13H,4-5,11,14-18,27H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046033
PNG
(CHEMBL3310128)
Show SMILES Fc1ccc(cc1)-c1n[nH]c(NC(=O)Cc2ccccc2)c1-c1ccncc1
Show InChI InChI=1S/C22H17FN4O/c23-18-8-6-17(7-9-18)21-20(16-10-12-24-13-11-16)22(27-26-21)25-19(28)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330455
PNG
(3-Amino-7-chloro-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C25H27ClN6O/c26-19-9-10-20-22(17-19)29-24(32(27)25(20)33)7-3-4-12-30-13-15-31(16-14-30)23-11-8-18-5-1-2-6-21(18)28-23/h1-2,5-6,8-11,17H,3-4,7,12-16,27H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330456
PNG
(7-Acetyl-3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES CC(=O)N1CCc2c(C1)sc1nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
Show InChI InChI=1S/C28H33N7O2S/c1-19(36)34-13-11-21-23(18-34)38-27-26(21)28(37)35(29)25(31-27)8-4-5-12-32-14-16-33(17-15-32)24-10-9-20-6-2-3-7-22(20)30-24/h2-3,6-7,9-10H,4-5,8,11-18,29H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22.1n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046042
PNG
(CHEMBL3310136)
Show SMILES Fc1ccc(cc1)-c1noc(NC(=O)CCc2ccccc2)c1-c1ccncc1
Show InChI InChI=1S/C23H18FN3O2/c24-19-9-7-18(8-10-19)22-21(17-12-14-25-15-13-17)23(29-27-22)26-20(28)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H,6,11H2,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046041
PNG
(CHEMBL3310135)
Show SMILES Fc1ccc(cc1)-c1noc(NC(=O)Cc2ccccc2)c1-c1ccncc1
Show InChI InChI=1S/C22H16FN3O2/c23-18-8-6-17(7-9-18)21-20(16-10-12-24-13-11-16)22(28-26-21)25-19(27)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330457
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H26N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1-4,6-11H,5,12-17,25H2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330450
PNG
(2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...)
Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330458
PNG
(3-Amino-5,6-dimethyl-2-[4-(4-quinolin-2-ylpiperazi...)
Show SMILES Cc1sc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C25H30N6OS/c1-17-18(2)33-24-23(17)25(32)31(26)22(28-24)9-5-6-12-29-13-15-30(16-14-29)21-11-10-19-7-3-4-8-20(19)27-21/h3-4,7-8,10-11H,5-6,9,12-16,26H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26.7n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50046047
PNG
(CHEMBL3310140)
Show SMILES Fc1ccc(cc1)-c1noc(NC(=O)Cc2ccccc2F)c1-c1ccncn1
Show InChI InChI=1S/C21H14F2N4O2/c22-15-7-5-13(6-8-15)20-19(17-9-10-24-12-25-17)21(29-27-20)26-18(28)11-14-3-1-2-4-16(14)23/h1-10,12H,11H2,(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay


Bioorg Med Chem 22: 4162-76 (2014)


Article DOI: 10.1016/j.bmc.2014.05.045
BindingDB Entry DOI: 10.7270/Q2C82BXS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50330460
PNG
(3-Amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazi...)
Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Show InChI InChI=1S/C24H28N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h3-4,6-9H,5,10-15,25H2,1-2H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330461
PNG
(3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...)
Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C26H30N6OS2/c27-32-25(33)23-19-7-2-4-9-21(19)35-24(23)29-26(32)34-17-5-12-30-13-15-31(16-14-30)22-11-10-18-6-1-3-8-20(18)28-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,27H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41.4n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131007
PNG
(US8829000, 9)
Show SMILES CC(C)c1ncc2n1c1ccc(cc1[nH]c2=O)C(=O)N(C)C
Show InChI InChI=1S/C16H18N4O2/c1-9(2)14-17-8-13-15(21)18-11-7-10(16(22)19(3)4)5-6-12(11)20(13)14/h5-9H,1-4H3,(H,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330462
PNG
(2-[3-(4-Quinolin-2-ylpiperazin-1-yl)propylthio]-5,...)
Show SMILES O=c1[nH]c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c12
Show InChI InChI=1S/C26H29N5OS2/c32-24-23-19-7-2-4-9-21(19)34-25(23)29-26(28-24)33-17-5-12-30-13-15-31(16-14-30)22-11-10-18-6-1-3-8-20(18)27-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17H2,(H,28,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44.2n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330463
PNG
(3-Amino-6-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...)
Show SMILES Cc1ccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1
Show InChI InChI=1S/C26H30N6O/c1-19-9-11-23-21(18-19)26(33)32(27)25(29-23)8-4-5-13-30-14-16-31(17-15-30)24-12-10-20-6-2-3-7-22(20)28-24/h2-3,6-7,9-12,18H,4-5,8,13-17,27H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330459
PNG
(3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
Show InChI InChI=1S/C25H28N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1-4,7-10,12-13H,5-6,11,14-18,26H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45.7n/an/an/an/an/an/a



ASKA Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 166 total )  |  Next  |  Last  >>
Jump to: