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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'kitazume' and Initial = 's'   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50141551
PNG
(5-[(S)-3-((S)-2-{(S)-2-[2-Amino-3-((S)-carboxyamin...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C33H44N6O11/c1-16(2)10-24(38-29(43)25(17(3)4)39-27(41)22(34)15-35-33(49)50)28(42)37-23(11-18-8-6-5-7-9-18)26(40)30(44)36-21-13-19(31(45)46)12-20(14-21)32(47)48/h5-9,12-14,16-17,22-26,35,40H,10-11,15,34H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)(H,39,41)(H,45,46)(H,47,48)(H,49,50)/t22-,23-,24-,25-,26+/m0/s1
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Article
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n/an/a 3.40n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against Beta-secretase 1 was evaluated


Bioorg Med Chem Lett 14: 1527-31 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.088
BindingDB Entry DOI: 10.7270/Q2V987H4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50141552
PNG
(3-[(S)-3-((S)-2-{(S)-2-[2-Amino-3-((S)-carboxyamin...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H44N6O9/c1-17(2)13-24(37-29(42)25(18(3)4)38-27(40)22(33)16-34-32(46)47)28(41)36-23(14-19-9-6-5-7-10-19)26(39)30(43)35-21-12-8-11-20(15-21)31(44)45/h5-12,15,17-18,22-26,34,39H,13-14,16,33H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)(H,38,40)(H,44,45)(H,46,47)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against Beta-secretase 1 was evaluated


Bioorg Med Chem Lett 14: 1527-31 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.088
BindingDB Entry DOI: 10.7270/Q2V987H4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50141553
PNG
(5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-4-carboxyb...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H45N5O11/c1-17(2)12-25(38-31(45)27(18(3)4)39-29(43)23(35)10-11-26(40)41)30(44)37-24(13-19-8-6-5-7-9-19)28(42)32(46)36-22-15-20(33(47)48)14-21(16-22)34(49)50/h5-9,14-18,23-25,27-28,42H,10-13,35H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)(H,39,43)(H,40,41)(H,47,48)(H,49,50)/t23-,24-,25-,27-,28+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against Beta-secretase 1 was evaluated


Bioorg Med Chem Lett 14: 1527-31 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.088
BindingDB Entry DOI: 10.7270/Q2V987H4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50141550
PNG
((S)-2-{(S)-2-[(S)-2-((S)-3-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C37H56N8O15/c1-17(2)13-24(43-34(55)28(18(3)4)45-31(52)21(38)16-39-37(59)60)33(54)42-23(14-20-9-7-6-8-10-20)29(50)35(56)44-25(15-27(48)49)32(53)40-19(5)30(51)41-22(36(57)58)11-12-26(46)47/h6-10,17-19,21-25,28-29,39,50H,11-16,38H2,1-5H3,(H,40,53)(H,41,51)(H,42,54)(H,43,55)(H,44,56)(H,45,52)(H,46,47)(H,48,49)(H,57,58)(H,59,60)/t19-,21-,22-,23-,24-,25-,28-,29+/m0/s1
PDB
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B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against Beta-secretase 1 was evaluated


Bioorg Med Chem Lett 14: 1527-31 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.088
BindingDB Entry DOI: 10.7270/Q2V987H4
More data for this
Ligand-Target Pair