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Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'lauffer' and Initial = 'dj'   
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
Caspase-1


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r|
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557859
PNG
(CHEMBL4784332)
Show SMILES Clc1cccc(Nc2nn3c(Cc4ccc5ncccc5c4)nnc3s2)c1
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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283345
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydrox...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H30I2N4O8/c1-10(2)19(23(37)26-11(3)21(35)28-14(9-30)8-18(32)33)29-22(36)17(27-12(4)31)7-13-5-15(24)20(34)16(25)6-13/h5-6,9-11,14,17,19,34H,7-8H2,1-4H3,(H,26,37)(H,27,31)(H,28,35)(H,29,36)(H,32,33)/t11-,14-,17-,19-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557853
PNG
(CHEMBL4753090)
Show SMILES Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557856
PNG
(CHEMBL4790331)
Show SMILES Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1F
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557867
PNG
(CHEMBL4783289)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cn(C)nc1C)c1ccc2ncccc2c1 |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557864
PNG
(CHEMBL4787386)
Show SMILES C[C@H](c1nnc2sc(Nc3cnn(C)c3)nn12)c1ccc2ncccc2c1 |r|
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557863
PNG
(CHEMBL4791034)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557865
PNG
(CHEMBL4778083)
Show SMILES Cn1cc(Nc2nn3c(nnc3s2)C(F)(F)c2ccc3ncccc3c2)cn1
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557866
PNG
(CHEMBL4750387)
Show SMILES C[C@@H](c1nnc2sc(nn12)-c1cn(C)nc1C)c1ccc2ncccc2c1 |r|
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283348
PNG
((S)-3-{(S)-2-[(S)-2-(3,3-Dichloro-propionylamino)-...)
Show SMILES CC(C)[C@H](NC(=O)CC(Cl)Cl)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C15H23Cl2N3O6/c1-7(2)13(20-11(22)5-10(16)17)15(26)18-8(3)14(25)19-9(6-21)4-12(23)24/h6-10,13H,4-5H2,1-3H3,(H,18,26)(H,19,25)(H,20,22)(H,23,24)/t8-,9-,13-/m0/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557852
PNG
(CHEMBL4793526)
Show SMILES Oc1ccc(Cc2nnc3sc(Nc4ccccc4)nn23)cc1
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557860
PNG
(CHEMBL4760101)
Show SMILES Cn1cc(cn1)-c1nn2c(Cc3ccc4ncccc4c3)nnc2s1
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557858
PNG
(CHEMBL4786582)
Show SMILES Clc1cccc(Nc2nn3c(Cn4ccc5ncccc45)nnc3s2)c1
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283341
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-phenyl-pr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O7/c1-13(2)20(23(34)24-14(3)21(32)26-17(12-28)11-19(30)31)27-22(33)18(25-15(4)29)10-16-8-6-5-7-9-16/h5-9,12-14,17-18,20H,10-11H2,1-4H3,(H,24,34)(H,25,29)(H,26,32)(H,27,33)(H,30,31)/t14-,17-,18-,20-/m0/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557861
PNG
(CHEMBL4762193)
Show SMILES CC(c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1
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50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557857
PNG
(CHEMBL4743756)
Show SMILES Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1Cl
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50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283346
PNG
((S)-3-[(S)-2-({(S)-2-[(S)-2-Acetylamino-3-(4-hydro...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C24H34N4O8/c1-13(2)21(24(36)28(5)14(3)22(34)26-17(12-29)11-20(32)33)27-23(35)19(25-15(4)30)10-16-6-8-18(31)9-7-16/h6-9,12-14,17,19,21,31H,10-11H2,1-5H3,(H,25,30)(H,26,34)(H,27,35)(H,32,33)/t14-,17-,19-,21-/m0/s1
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59n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50396960
PNG
(CHEMBL2170957)
Show SMILES Oc1ccc(Cc2nnc3ncc(nn23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12FN5O/c18-13-5-3-12(4-6-13)15-10-19-17-21-20-16(23(17)22-15)9-11-1-7-14(24)8-2-11/h1-8,10,24H,9H2
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60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557855
PNG
(CHEMBL4740644)
Show SMILES Clc1cccc(Nc2nn3c(Cc4ccc5OCOc5c4)nnc3s2)c1
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80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557850
PNG
(CHEMBL4748465)
Show SMILES Oc1ccc(Cc2nnc3SCC(=Nn23)c2ccc(F)cc2)cc1 |c:12|
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80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50111802
PNG
(1N-[2-hydroxy-5-oxo-(3S)-dihydro-3-furanyl]-2-[2-o...)
Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2N(C[C@H](NC(=O)c2ccccc2)C1=O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C31H30N4O7/c36-26(32-22-17-28(38)42-31(22)41)19-35-25-14-8-7-13-24(25)34(27(37)16-15-20-9-3-1-4-10-20)18-23(30(35)40)33-29(39)21-11-5-2-6-12-21/h1-14,22-23,31,41H,15-19H2,(H,32,36)(H,33,39)/t22-,23-,31?/m0/s1
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90n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against IL-1 beta converting enzyme


Bioorg Med Chem Lett 12: 1225-7 (2002)


BindingDB Entry DOI: 10.7270/Q2F47NGT
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283338
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-(Acetyl-methyl-amino)-3...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C24H34N4O8/c1-13(2)21(24(36)25-14(3)22(34)26-17(12-29)11-20(32)33)27-23(35)19(28(5)15(4)30)10-16-6-8-18(31)9-7-16/h6-9,12-14,17,19,21,31H,10-11H2,1-5H3,(H,25,36)(H,26,34)(H,27,35)(H,32,33)/t14-,17-,19-,21-/m0/s1
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557854
PNG
(CHEMBL4740776)
Show SMILES Oc1cccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)c1
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50440886
PNG
(CHEMBL2431818)
Show SMILES Oc1ccc(Cc2nnc3ccc(nn23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H13FN4O/c19-14-5-3-13(4-6-14)16-9-10-17-20-21-18(23(17)22-16)11-12-1-7-15(24)8-2-12/h1-10,24H,11H2
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557862
PNG
(CHEMBL4763399)
Show SMILES C[C@@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
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240n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557851
PNG
(CHEMBL4764695)
Show SMILES Oc1ccc(Cc2nnc3sc(nn23)-c2ccccc2)cc1
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400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50351673
PNG
(CHEMBL1822377)
Show SMILES Oc1ccc(Cn2cnc3ncc(nc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H13FN4O/c19-14-5-3-13(4-6-14)16-9-20-17-18(22-16)23(11-21-17)10-12-1-7-15(24)8-2-12/h1-9,11,24H,10H2
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400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283343
PNG
(3-((S)-2-{(S)-2-[(S)-2-((S)-Acetylamino)-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=NNC(N)=O |w:34.35|
Show InChI InChI=1S/C24H35N7O8/c1-12(2)20(30-22(37)18(28-14(4)32)9-15-5-7-17(33)8-6-15)23(38)27-13(3)21(36)29-16(10-19(34)35)11-26-31-24(25)39/h5-8,11-13,16,18,20,33H,9-10H2,1-4H3,(H,27,38)(H,28,32)(H,29,36)(H,30,37)(H,34,35)(H3,25,31,39)/t13-,16-,18-,20-/m0/s1
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283350
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C14H23N3O6/c1-7(2)12(16-9(4)19)14(23)15-8(3)13(22)17-10(6-18)5-11(20)21/h6-8,10,12H,5H2,1-4H3,(H,15,23)(H,16,19)(H,17,22)(H,20,21)/t8-,10-,12-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283349
PNG
((S)-3-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-pheny...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C18H23N3O7/c1-10(17(27)21-13(9-22)8-16(25)26)19-18(28)15(20-11(2)23)7-12-3-5-14(24)6-4-12/h3-6,9-10,13,15,24H,7-8H2,1-2H3,(H,19,28)(H,20,23)(H,21,27)(H,25,26)/t10-,13-,15-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283342
PNG
((S)-3-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C20H27N3O7/c1-11(2)18(20(30)22-14(10-24)9-17(27)28)23-19(29)16(21-12(3)25)8-13-4-6-15(26)7-5-13/h4-7,10-11,14,16,18,26H,8-9H2,1-3H3,(H,21,25)(H,22,30)(H,23,29)(H,27,28)/t14-,16-,18-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50557863
PNG
(CHEMBL4791034)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SRC (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50557863
PNG
(CHEMBL4791034)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SKY (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50557863
PNG
(CHEMBL4791034)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50557863
PNG
(CHEMBL4791034)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50557863
PNG
(CHEMBL4791034)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
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>4.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283340
PNG
((S)-3-[((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydro...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C24H34N4O8/c1-13(2)21(23(35)25-14(3)24(36)28(5)17(12-29)11-20(32)33)27-22(34)19(26-15(4)30)10-16-6-8-18(31)9-7-16/h6-9,12-14,17,19,21,31H,10-11H2,1-5H3,(H,25,35)(H,26,30)(H,27,34)(H,32,33)/t14-,17-,19-,21-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283339
PNG
((S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C23H33N5O6/c1-12(2)20(23(34)25-13(3)21(32)27-16-10-19(31)24-11-16)28-22(33)18(26-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,12-13,16,18,20,30H,9-11H2,1-4H3,(H,24,31)(H,25,34)(H,26,29)(H,27,32)(H,28,33)/t13-,16-,18-,20-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283352
PNG
((S)-3-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C15H18N2O6/c1-9(19)16-13(6-10-2-4-12(20)5-3-10)15(23)17-11(8-18)7-14(21)22/h2-5,8,11,13,20H,6-7H2,1H3,(H,16,19)(H,17,23)(H,21,22)/t11-,13-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283344
PNG
((S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-prop...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]1COC(=O)C1
Show InChI InChI=1S/C23H32N4O7/c1-12(2)20(23(33)24-13(3)21(31)26-16-10-19(30)34-11-16)27-22(32)18(25-14(4)28)9-15-5-7-17(29)8-6-15/h5-8,12-13,16,18,20,29H,9-11H2,1-4H3,(H,24,33)(H,25,28)(H,26,31)(H,27,32)/t13-,16-,18-,20-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50091562
PNG
(3-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-ph...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCC(O)=O
Show InChI InChI=1S/C22H32N4O7/c1-12(2)19(22(33)24-13(3)20(31)23-10-9-18(29)30)26-21(32)17(25-14(4)27)11-15-5-7-16(28)8-6-15/h5-8,12-13,17,19,28H,9-11H2,1-4H3,(H,23,31)(H,24,33)(H,25,27)(H,26,32)(H,29,30)/t13-,17-,19-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283347
PNG
((S)-3-((S)-2-Acetylamino-propionylamino)-4-oxo-but...)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C9H14N2O5/c1-5(10-6(2)13)9(16)11-7(4-12)3-8(14)15/h4-5,7H,3H2,1-2H3,(H,10,13)(H,11,16)(H,14,15)/t5-,7-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50283351
PNG
((S)-3-[(S)-2-((S)-2-{[(S)-2-Acetylamino-3-(4-hydro...)
Show SMILES CC(C)[C@H](N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C24H34N4O8/c1-13(2)21(23(35)25-14(3)22(34)27-17(12-29)11-20(32)33)28(5)24(36)19(26-15(4)30)10-16-6-8-18(31)9-7-16/h6-9,12-14,17,19,21,31H,10-11H2,1-5H3,(H,25,35)(H,26,30)(H,27,34)(H,32,33)/t14-,17-,19-,21-/m0/s1
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Article
5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557867
PNG
(CHEMBL4783289)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cn(C)nc1C)c1ccc2ncccc2c1 |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557866
PNG
(CHEMBL4750387)
Show SMILES C[C@@H](c1nnc2sc(nn12)-c1cn(C)nc1C)c1ccc2ncccc2c1 |r|
PDB
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UniProtKB/SwissProt

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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557865
PNG
(CHEMBL4778083)
Show SMILES Cn1cc(Nc2nn3c(nnc3s2)C(F)(F)c2ccc3ncccc3c2)cn1
PDB
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557864
PNG
(CHEMBL4787386)
Show SMILES C[C@H](c1nnc2sc(Nc3cnn(C)c3)nn12)c1ccc2ncccc2c1 |r|
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557863
PNG
(CHEMBL4791034)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
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Article
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50557859
PNG
(CHEMBL4784332)
Show SMILES Clc1cccc(Nc2nn3c(Cc4ccc5ncccc5c4)nnc3s2)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
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