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Compile Data Set for Download or QSAR

Found 7 hits from Daiichi 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
G-protein coupled receptor kinase 2


(Homo sapiens (Human))
BDBM50113255
PNG
(5-[2-(5-Nitro-furan-2-yl)-vinyl]-furan-2-carboxyli...)
Show SMILES COC(=O)c1ccc(\C=C\c2ccc(o2)[N+]([O-])=O)o1
Show InChI InChI=1S/C12H9NO6/c1-17-12(14)10-6-4-8(18-10)2-3-9-5-7-11(19-9)13(15)16/h2-7H,1H3/b3-2+
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n/an/a 1.26E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Beta-adrenergic receptor kinase 1


J Med Chem 45: 2150-9 (2002)


Article DOI: 10.1021/jm010093a
BindingDB Entry DOI: 10.7270/Q2Q81CCR
More data for this
Ligand-Target Pair
G-protein coupled receptor kinase 2


(Homo sapiens (Human))
BDBM50113256
PNG
(2-[5-Amino-3-(3,4-dihydroxy-5-hydroxymethyl-tetrah...)
Show SMILES NC(=O)Cc1c(N)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H16N4O5/c11-6(16)1-4-9(12)13-3-14(4)10-8(18)7(17)5(2-15)19-10/h3,5,7-8,10,15,17-18H,1-2,12H2,(H2,11,16)/t5-,7-,8-,10-/m1/s1
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n/an/a 5.57E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Beta-adrenergic receptor kinase 1


J Med Chem 45: 2150-9 (2002)


Article DOI: 10.1021/jm010093a
BindingDB Entry DOI: 10.7270/Q2Q81CCR
More data for this
Ligand-Target Pair
G-protein coupled receptor kinase 2


(Homo sapiens (Human))
BDBM50113257
PNG
(3-tert-Butyl-2-propionyl-2H-indeno[1,2-c]pyrazol-4...)
Show SMILES CCC(=O)n1nc2-c3ccccc3C(=O)c2c1C(C)(C)C
Show InChI InChI=1S/C17H18N2O2/c1-5-12(20)19-16(17(2,3)4)13-14(18-19)10-8-6-7-9-11(10)15(13)21/h6-9H,5H2,1-4H3
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n/an/a 5.63E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Beta-adrenergic receptor kinase 1


J Med Chem 45: 2150-9 (2002)


Article DOI: 10.1021/jm010093a
BindingDB Entry DOI: 10.7270/Q2Q81CCR
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50135925
PNG
(8-[2-(4-Isopropyl-thiazol-2-yl)-ethyl]-3-(1H-tetra...)
Show SMILES CC(C)c1csc(CCc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1
Show InChI InChI=1S/C17H17N7OS/c1-10(2)13-9-26-15(19-13)4-3-11-5-6-24-14(7-11)18-8-12(17(24)25)16-20-22-23-21-16/h5-10H,3-4H2,1-2H3,(H,20,21,22,23)
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n/an/an/a 3.27E+5n/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Protein binding affinity for human serum albumin was measured


Bioorg Med Chem Lett 13: 4205-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.027
BindingDB Entry DOI: 10.7270/Q2RF5TFK
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50135924
PNG
(8-(4-Isopropyl-thiazol-2-ylmethoxy)-3-(1H-tetrazol...)
Show SMILES CC(C)c1csc(COc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1
Show InChI InChI=1S/C16H15N7O2S/c1-9(2)12-8-26-14(18-12)7-25-10-3-4-23-13(5-10)17-6-11(16(23)24)15-19-21-22-20-15/h3-6,8-9H,7H2,1-2H3,(H,19,20,21,22)
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n/an/an/a 6.64E+4n/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Protein binding affinity for human serum albumin was measured


Bioorg Med Chem Lett 13: 4205-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.027
BindingDB Entry DOI: 10.7270/Q2RF5TFK
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50135926
PNG
(2-({3-[(E)-2-(4-Isopropyl-thiazol-2-yl)-vinyl]-phe...)
Show SMILES CC(C)c1csc(\C=C\c2cccc(NC(=O)Cc3ccccc3C(O)=O)c2)n1
Show InChI InChI=1S/C23H22N2O3S/c1-15(2)20-14-29-22(25-20)11-10-16-6-5-8-18(12-16)24-21(26)13-17-7-3-4-9-19(17)23(27)28/h3-12,14-15H,13H2,1-2H3,(H,24,26)(H,27,28)/b11-10+
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n/an/an/a 280n/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Protein binding affinity for human serum albumin was measured


Bioorg Med Chem Lett 13: 4205-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.027
BindingDB Entry DOI: 10.7270/Q2RF5TFK
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50135923
PNG
(8-[(E)-2-(4-Isopropyl-thiazol-2-yl)-vinyl]-3-(1H-t...)
Show SMILES CC(C)c1csc(C=Cc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1
Show InChI InChI=1S/C17H15N7OS/c1-10(2)13-9-26-15(19-13)4-3-11-5-6-24-14(7-11)18-8-12(17(24)25)16-20-22-23-21-16/h3-10H,1-2H3,(H,20,21,22,23)
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n/an/an/a 2.20E+4n/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Protein binding affinity for human serum albumin was measured


Bioorg Med Chem Lett 13: 4205-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.027
BindingDB Entry DOI: 10.7270/Q2RF5TFK
More data for this
Ligand-Target Pair