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BDBM50263004 CHEMBL4069936

SMILES: Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O

InChI Key: InChIKey=WLQXBRYTQYYCMW-REWPJTCUSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50263004   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50263004
PNG
(CHEMBL4069936)
Show SMILES Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O |r|
Show InChI InChI=1S/C27H28FN5O4/c1-15-21(10-17(28)12-29-15)30-22(34)11-20(16-6-7-16)24(35)31-23-18-4-2-3-5-19(18)25(36)32-13-27(8-9-27)14-33(32)26(23)37/h2-5,10,12,16,20,23H,6-9,11,13-14H2,1H3,(H,30,34)(H,31,35)/t20-,23-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation , 10675 John Jay Hopkins Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human SPPL2a expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 76 residues) NTF as substrate after 24 hrs by Hoechst stai...


J Med Chem 61: 865-880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01371
BindingDB Entry DOI: 10.7270/Q2JM2D49
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Rattus norvegicus)
BDBM50263004
PNG
(CHEMBL4069936)
Show SMILES Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O |r|
Show InChI InChI=1S/C27H28FN5O4/c1-15-21(10-17(28)12-29-15)30-22(34)11-20(16-6-7-16)24(35)31-23-18-4-2-3-5-19(18)25(36)32-13-27(8-9-27)14-33(32)26(23)37/h2-5,10,12,16,20,23H,6-9,11,13-14H2,1H3,(H,30,34)(H,31,35)/t20-,23-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation , 10675 John Jay Hopkins Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of rat SPPL2a expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 77 residues) NLS as substrate after 24 hrs by Hoechst staini...


J Med Chem 61: 865-880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01371
BindingDB Entry DOI: 10.7270/Q2JM2D49
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Homo sapiens)
BDBM50263004
PNG
(CHEMBL4069936)
Show SMILES Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O |r|
Show InChI InChI=1S/C27H28FN5O4/c1-15-21(10-17(28)12-29-15)30-22(34)11-20(16-6-7-16)24(35)31-23-18-4-2-3-5-19(18)25(36)32-13-27(8-9-27)14-33(32)26(23)37/h2-5,10,12,16,20,23H,6-9,11,13-14H2,1H3,(H,30,34)(H,31,35)/t20-,23-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation , 10675 John Jay Hopkins Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human SPPL2a expressed in HEK293 cells using GAL4-VP16 fusedTNFalpha (1 to 76)-NTF as substrate after 24 hrs by Bright-Glo luciferase r...


J Med Chem 61: 865-880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01371
BindingDB Entry DOI: 10.7270/Q2JM2D49
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2B


(Homo sapiens)
BDBM50263004
PNG
(CHEMBL4069936)
Show SMILES Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O |r|
Show InChI InChI=1S/C27H28FN5O4/c1-15-21(10-17(28)12-29-15)30-22(34)11-20(16-6-7-16)24(35)31-23-18-4-2-3-5-19(18)25(36)32-13-27(8-9-27)14-33(32)26(23)37/h2-5,10,12,16,20,23H,6-9,11,13-14H2,1H3,(H,30,34)(H,31,35)/t20-,23-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation , 10675 John Jay Hopkins Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human SPPL2b expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 76 residues) NTF as substrate after 24 hrs by Hoechst stai...


J Med Chem 61: 865-880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01371
BindingDB Entry DOI: 10.7270/Q2JM2D49
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Mus musculus)
BDBM50263004
PNG
(CHEMBL4069936)
Show SMILES Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O |r|
Show InChI InChI=1S/C27H28FN5O4/c1-15-21(10-17(28)12-29-15)30-22(34)11-20(16-6-7-16)24(35)31-23-18-4-2-3-5-19(18)25(36)32-13-27(8-9-27)14-33(32)26(23)37/h2-5,10,12,16,20,23H,6-9,11,13-14H2,1H3,(H,30,34)(H,31,35)/t20-,23-/m0/s1
UniProtKB/SwissProt

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MCE
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PC sid
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Article
PubMed
n/an/a 137n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation , 10675 John Jay Hopkins Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of mouse SPPL2a in A20 cells assessed as CD74/p8 accumulation by flow cytometry


J Med Chem 61: 865-880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01371
BindingDB Entry DOI: 10.7270/Q2JM2D49
More data for this
Ligand-Target Pair
Signal peptide peptidase-like 2A


(Mus musculus)
BDBM50263004
PNG
(CHEMBL4069936)
Show SMILES Cc1ncc(F)cc1NC(=O)C[C@@H](C1CC1)C(=O)N[C@H]1c2ccccc2C(=O)N2CC3(CC3)CN2C1=O |r|
Show InChI InChI=1S/C27H28FN5O4/c1-15-21(10-17(28)12-29-15)30-22(34)11-20(16-6-7-16)24(35)31-23-18-4-2-3-5-19(18)25(36)32-13-27(8-9-27)14-33(32)26(23)37/h2-5,10,12,16,20,23H,6-9,11,13-14H2,1H3,(H,30,34)(H,31,35)/t20-,23-/m0/s1
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 180n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation , 10675 John Jay Hopkins Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of mouse SPPL2a expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 77 residues) NLS as substrate after 24 hrs by Hoechst stai...


J Med Chem 61: 865-880 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01371
BindingDB Entry DOI: 10.7270/Q2JM2D49
More data for this
Ligand-Target Pair