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Compile Data Set for Download or QSAR

Found 239 hits with Last Name = 'khurana' and Initial = 'p'   
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
Cathepsin D


(Homo sapiens (Human))
BDBM50080960
PNG
(2-Bromo-N-[(1S,2S)-3-{[2-(2,4-dichloro-phenyl)-eth...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1cccc(Oc2ccccc2)c1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1
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0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D using (Ac-Glu-Glu(Edans)-Lys-Pro-Ile-Cys-Phe-PheArg-Leu-Gly-Lys(Dabcyl)-Glu-NH2) peptide as substrate by fluoro...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Cathepsin D (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50023342
PNG
(CHEMBL3334567)
Show SMILES C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50023342
PNG
(CHEMBL3334567)
Show SMILES C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(nc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cell...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a>2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells us...


ACS Med Chem Lett 10: 1322-1327 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00276
BindingDB Entry DOI: 10.7270/Q27W6GKF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157830
PNG
(3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)[nH]c2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O3S/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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n/an/a 3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.024
BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555173
PNG
(CHEMBL4754691)
Show SMILES OC(=O)C(F)(F)F.CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1 |r|
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555188
PNG
(CHEMBL4751867)
Show SMILES OC(=O)C(F)(F)F.CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(Cl)c2)c1 |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555179
PNG
(CHEMBL4783048)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(N)(=O)=O)cc1OC |r|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555209
PNG
(CHEMBL4794632)
Show SMILES OC(=O)C(F)(F)F.CCCC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(ccc1C)S(N)(=O)=O |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555170
PNG
(CHEMBL4779266)
Show SMILES OC(=O)C(F)(F)F.CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555201
PNG
(CHEMBL4791638)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](C2CCCCC2)C(=O)Nc2cc(ccc2C)S(N)(=O)=O)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157832
PNG
(3-Hydroxy-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine...)
Show SMILES On1c(=O)[nH]c2sccc2c1=O
Show InChI InChI=1S/C6H4N2O3S/c9-5-3-1-2-12-4(3)7-6(10)8(5)11/h1-2,11H,(H,7,10)
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n/an/a 9n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.024
BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555189
PNG
(CHEMBL4792649)
Show SMILES OC(=O)C(F)(F)F.CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(Cl)cc(OC)c2)c1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555171
PNG
(CHEMBL4741771)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)N(C(C)C)C(C)C)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555176
PNG
(CHEMBL4798170)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)N2CCOCC2)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555178
PNG
(CHEMBL4794580)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)N(S(C)(=O)=O)S(C)(=O)=O)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555193
PNG
(CHEMBL4746757)
Show SMILES OC(=O)C(F)(F)F.CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(c2)C(F)(F)F)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555190
PNG
(CHEMBL4755364)
Show SMILES OC(=O)C(F)(F)F.CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(Cl)cc(c2)C(F)(F)F)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555194
PNG
(CHEMBL4751432)
Show SMILES OC(=O)C(F)(F)F.CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(cc2)S(C)(=O)=O)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555157
PNG
(CHEMBL4799250)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)N(C)C)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555174
PNG
(CHEMBL4749657)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)NC2CC2)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555191
PNG
(CHEMBL4747915)
Show SMILES OC(=O)C(F)(F)F.CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121865
PNG
(CHEMBL3617199)
Show SMILES CC(=O)Nc1cccc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C10H9N3O4/c1-5(14)11-7-4-2-3-6-8(7)12-10(16)13(17)9(6)15/h2-4,17H,1H3,(H,11,14)(H,12,16)
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n/an/a 38n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.024
BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555160
PNG
(CHEMBL4747598)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)N(C)C)cc1F |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549946
PNG
(CHEMBL4796908)
Show SMILES Fc1ccccc1Cc1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM50555210
PNG
(CHEMBL4755936)
Show SMILES OC(=O)C(F)(F)F.CCC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(ccc1C)S(N)(=O)=O |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555218
PNG
(CHEMBL4745201)
Show SMILES OC(=O)C(F)(F)F.CCOC[C@@H](NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)Nc1cc(ccc1C)S(N)(=O)=O |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549945
PNG
(CHEMBL4784342)
Show SMILES C(c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1)c1ccccc1
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM50555161
PNG
(CHEMBL4743108)
Show SMILES OC(=O)C(F)(F)F.CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cccc(c2)C#N)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555162
PNG
(CHEMBL4787350)
Show SMILES OC(=O)C(F)(F)F.CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccccc2C(F)(F)F)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555167
PNG
(CHEMBL4747539)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CCC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)N(C)C)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555164
PNG
(CHEMBL4743293)
Show SMILES OC(=O)C(F)(F)F.CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(cc2)C(F)(F)F)c1 |r|
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n/an/a 54n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555181
PNG
(CHEMBL4788968)
Show SMILES OC(=O)C(F)(F)F.CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)C2CCCCC2)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157846
PNG
(3-Hydroxy-7-p-tolyl-1H-furo[3,2-d]pyrimidine-2,4-d...)
Show SMILES Cc1ccc(cc1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O4/c1-7-2-4-8(5-3-7)9-6-19-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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n/an/a 57n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.024
BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555172
PNG
(CHEMBL4788309)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)NC(C)C)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555195
PNG
(CHEMBL4763902)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](Cc2ccccc2)C(=O)Nc2cc(ccc2C)S(N)(=O)=O)cc1OC |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555159
PNG
(CHEMBL4759490)
Show SMILES OC(=O)C(F)(F)F.CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(F)c(F)c2)c1 |r|
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TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549947
PNG
(CHEMBL4749560)
Show SMILES Fc1cccc(Cc2c[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1
PDB
MMDB

KEGG

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n/an/a 65n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (G...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00392
BindingDB Entry DOI: 10.7270/Q20C50DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM50555163
PNG
(CHEMBL4755601)
Show SMILES OC(=O)C(F)(F)F.CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cccc(c2)C(F)(F)F)c1 |r|
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n/an/a 69n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555158
PNG
(CHEMBL4778127)
Show SMILES OC(=O)C(F)(F)F.CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 |r|
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n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555202
PNG
(CHEMBL4786011)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@@H](C(=O)Nc2cc(ccc2C)S(N)(=O)=O)C2=CCC=CC2)cc1OC |r,c:38,t:35|
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n/an/a 83n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555206
PNG
(CHEMBL4777316)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC(C)C)C(=O)Nc2cc(ccc2C)S(N)(=O)=O)cc1OC |r|
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50555177
PNG
(CHEMBL4756722)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)Nc2cc(ccc2C)S(=O)(=O)N2CCN(C)CC2)cc1OC |r|
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n/an/a 86n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115879
BindingDB Entry DOI: 10.7270/Q2HQ43KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
CHEMBL5272595
PNG
PDB
MMDB

KEGG

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n/an/a 90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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