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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'gona' and Initial = 'k'   
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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50555050
PNG
(CHEMBL4764575)
Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r|
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50555052
PNG
(CHEMBL4751015)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(O)=O)cc2)C(=O)NO |r|
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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50555051
PNG
(CHEMBL4739996)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2)C(=O)NO |r|
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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50555050
PNG
(CHEMBL4764575)
Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r|
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5.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50555048
PNG
(CHEMBL4793938)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCNC(=O)c1ccc(NN)nc1 |r|
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7.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50555047
PNG
(CHEMBL4794902)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(OCCNC(=O)c2ccc(NN)nc2)cc1)C(O)=O |r|
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8.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50555049
PNG
(CHEMBL4747528)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50555050
PNG
(CHEMBL4764575)
Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50555051
PNG
(CHEMBL4739996)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2)C(=O)NO |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50555050
PNG
(CHEMBL4764575)
Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50555050
PNG
(CHEMBL4764575)
Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r|
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50555052
PNG
(CHEMBL4751015)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(O)=O)cc2)C(=O)NO |r|
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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50555052
PNG
(CHEMBL4751015)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(O)=O)cc2)C(=O)NO |r|
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39n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50555048
PNG
(CHEMBL4793938)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCNC(=O)c1ccc(NN)nc1 |r|
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78n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50555049
PNG
(CHEMBL4747528)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
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81n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50555051
PNG
(CHEMBL4739996)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2)C(=O)NO |r|
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89n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50555049
PNG
(CHEMBL4747528)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
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125n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50555047
PNG
(CHEMBL4794902)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(OCCNC(=O)c2ccc(NN)nc2)cc1)C(O)=O |r|
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155n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50555049
PNG
(CHEMBL4747528)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
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164n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50555048
PNG
(CHEMBL4793938)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCNC(=O)c1ccc(NN)nc1 |r|
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222n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50555052
PNG
(CHEMBL4751015)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(O)=O)cc2)C(=O)NO |r|
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300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50555049
PNG
(CHEMBL4747528)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
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323n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50555051
PNG
(CHEMBL4739996)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2)C(=O)NO |r|
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396n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50555048
PNG
(CHEMBL4793938)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCNC(=O)c1ccc(NN)nc1 |r|
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615n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50555052
PNG
(CHEMBL4751015)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(O)=O)cc2)C(=O)NO |r|
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1.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50555048
PNG
(CHEMBL4793938)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCNC(=O)c1ccc(NN)nc1 |r|
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1.31E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50555051
PNG
(CHEMBL4739996)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOc2ccc(C[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2)C(=O)NO |r|
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2.11E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50555047
PNG
(CHEMBL4794902)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(OCCNC(=O)c2ccc(NN)nc2)cc1)C(O)=O |r|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50555047
PNG
(CHEMBL4794902)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(OCCNC(=O)c2ccc(NN)nc2)cc1)C(O)=O |r|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50555047
PNG
(CHEMBL4794902)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(OCCNC(=O)c2ccc(NN)nc2)cc1)C(O)=O |r|
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TBA

Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01514
BindingDB Entry DOI: 10.7270/Q2PC361P
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074693
PNG
(CHEMBL3410162)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C30H29F3N4O3/c1-18-9-8-12-20(17-18)24(26(34)38)22(15-16-30(31,32)33)28(39)36-27-29(40)37(2)23-14-7-6-13-21(23)25(35-27)19-10-4-3-5-11-19/h3-14,17,22,24,27H,15-16H2,1-2H3,(H2,34,38)(H,36,39)/t22-,24+,27-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074771
PNG
(CHEMBL3410153)
Show SMILES CCC(CC)[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:17|
Show InChI InChI=1S/C28H33F3N4O3/c1-4-17(5-2)22(24(32)36)20(15-16-28(29,30)31)26(37)34-25-27(38)35(3)21-14-10-9-13-19(21)23(33-25)18-11-7-6-8-12-18/h6-14,17,20,22,25H,4-5,15-16H2,1-3H3,(H2,32,36)(H,34,37)/t20-,22+,25-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074796
PNG
(CHEMBL3410169)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)20(13-14-29(32,33)34)23(25(35)39)18-12-11-17(30)15-21(18)31/h2-12,15,20,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t20-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074771
PNG
(CHEMBL3410153)
Show SMILES CCC(CC)[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:17|
Show InChI InChI=1S/C28H33F3N4O3/c1-4-17(5-2)22(24(32)36)20(15-16-28(29,30)31)26(37)34-25-27(38)35(3)21-14-10-9-13-19(21)23(33-25)18-11-7-6-8-12-18/h6-14,17,20,22,25H,4-5,15-16H2,1-3H3,(H2,32,36)(H,34,37)/t20-,22+,25-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074799
PNG
(CHEMBL3410167)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H26F4N4O3/c1-37-22-10-6-5-9-20(22)24(18-7-3-2-4-8-18)35-26(28(37)40)36-27(39)21(15-16-29(31,32)33)23(25(34)38)17-11-13-19(30)14-12-17/h2-14,21,23,26H,15-16H2,1H3,(H2,34,38)(H,36,39)/t21-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074796
PNG
(CHEMBL3410169)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)20(13-14-29(32,33)34)23(25(35)39)18-12-11-17(30)15-21(18)31/h2-12,15,20,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t20-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 2


(Homo sapiens (Human))
BDBM50074694
PNG
(CHEMBL3410161)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H27F3N4O3/c1-36-22-15-9-8-14-20(22)24(19-12-6-3-7-13-19)34-26(28(36)39)35-27(38)21(16-17-29(30,31)32)23(25(33)37)18-10-4-2-5-11-18/h2-15,21,23,26H,16-17H2,1H3,(H2,33,37)(H,35,38)/t21-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch2 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074818
PNG
(CHEMBL3410163)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074795
PNG
(CHEMBL3410170)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074798
PNG
(CHEMBL3410168)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-18(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)19(13-14-29(32,33)34)23(25(35)39)17-11-12-20(30)21(31)15-17/h2-12,15,19,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t19-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074799
PNG
(CHEMBL3410167)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H26F4N4O3/c1-37-22-10-6-5-9-20(22)24(18-7-3-2-4-8-18)35-26(28(37)40)36-27(39)21(15-16-29(31,32)33)23(25(34)38)17-11-13-19(30)14-12-17/h2-14,21,23,26H,15-16H2,1H3,(H2,34,38)(H,36,39)/t21-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074784
PNG
(CHEMBL3410151)
Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:15|
Show InChI InChI=1S/C29H38N4O3/c1-6-19(7-2)24(26(30)34)22(17-18(3)4)28(35)32-27-29(36)33(5)23-16-12-11-15-21(23)25(31-27)20-13-9-8-10-14-20/h8-16,18-19,22,24,27H,6-7,17H2,1-5H3,(H2,30,34)(H,32,35)/t22-,24+,27-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074818
PNG
(CHEMBL3410163)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074798
PNG
(CHEMBL3410168)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-18(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)19(13-14-29(32,33)34)23(25(35)39)17-11-12-20(30)21(31)15-17/h2-12,15,19,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t19-,23+,26-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074795
PNG
(CHEMBL3410170)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074777
PNG
(CHEMBL3410152)
Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:16|
Show InChI InChI=1S/C30H40N4O3/c1-7-19(8-2)24(26(31)35)22(18-30(3,4)5)28(36)33-27-29(37)34(6)23-17-13-12-16-21(23)25(32-27)20-14-10-9-11-15-20/h9-17,19,22,24,27H,7-8,18H2,1-6H3,(H2,31,35)(H,33,36)/t22-,24+,27-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))
BDBM50074695
PNG
(CHEMBL3410160)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C27H26F3N5O4/c1-15-19(14-39-34-15)21(23(31)36)18(12-13-27(28,29)30)25(37)33-24-26(38)35(2)20-11-7-6-10-17(20)22(32-24)16-8-4-3-5-9-16/h3-11,14,18,21,24H,12-13H2,1-2H3,(H2,31,36)(H,33,37)/t18-,21-,24-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 4


(Homo sapiens (Human))
BDBM50074694
PNG
(CHEMBL3410161)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H27F3N4O3/c1-36-22-15-9-8-14-20(22)24(19-12-6-3-7-13-19)34-26(28(36)39)35-27(38)21(16-17-29(30,31)32)23(25(33)37)18-10-4-2-5-11-18/h2-15,21,23,26H,16-17H2,1H3,(H2,33,37)(H,35,38)/t21-,23+,26-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch4 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074777
PNG
(CHEMBL3410152)
Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:16|
Show InChI InChI=1S/C30H40N4O3/c1-7-19(8-2)24(26(31)35)22(18-30(3,4)5)28(36)33-27-29(37)34(6)23-17-13-12-16-21(23)25(32-27)20-14-10-9-11-15-20/h9-17,19,22,24,27H,7-8,18H2,1-6H3,(H2,31,35)(H,33,36)/t22-,24+,27-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))
BDBM50074695
PNG
(CHEMBL3410160)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C27H26F3N5O4/c1-15-19(14-39-34-15)21(23(31)36)18(12-13-27(28,29)30)25(37)33-24-26(38)35(2)20-11-7-6-10-17(20)22(32-24)16-8-4-3-5-9-16/h3-11,14,18,21,24H,12-13H2,1-2H3,(H2,31,36)(H,33,37)/t18-,21-,24-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
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