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PubMed code 14623002

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Albumin


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2RF5TFK
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2RF5TFK
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2RF5TFK
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))		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 |w:7.6|
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)


BindingDB Entry DOI: 10.7270/Q2RF5TFK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%