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SMILES: Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1

InChI Key:

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 8 hits for monomerid = 534326   
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
Mixed lineage kinase domain-like protein


(Homo sapiens)
BDBM534326
PNG
(WO2018148626, Example 152 | WO2022086828, Example ...)
Show SMILES Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022086828
n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
HT29-L23 human colorectal adenocarcinoma cells were maintained in RPMI 1640 medium containing 10% heat-inactivated FBS, 1% Penicillin-Streptomycin an...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZZ4
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM534326
PNG
(WO2018148626, Example 152 | WO2022086828, Example ...)
Show SMILES Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022086828
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 90.6 nM probe and 1 nM His-GST-TVMV-hRIPKl (1-324) in FRET Buffer (20 mM HE...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM534326
PNG
(WO2018148626, Example 152 | WO2022086828, Example ...)
Show SMILES Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022086828
n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 40 nM probe and 1 nM GST-tagged PIK3C5 in complex with PIK3R1 (Invitrogen #...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZZ4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM534326
PNG
(WO2018148626, Example 152 | WO2022086828, Example ...)
Show SMILES Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022086828
n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 40 nM probe and 1 nM GST-tagged PIK3C5 in complex with PIK3R1 (Invitrogen #...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZZ4
More data for this
Ligand-Target Pair
Mixed lineage kinase domain-like protein


(Homo sapiens)
BDBM534326
PNG
(WO2018148626, Example 152 | WO2022086828, Example ...)
Show SMILES Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022086828
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
HT29-L23 human colorectal adenocarcinoma cells were maintained in RPMI 1640 medium containing 10% heat-inactivated FBS, 1% Penicillin-Streptomycin an...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZZ4
More data for this
Ligand-Target Pair
Mixed lineage kinase domain-like protein


(Homo sapiens)
BDBM534326
PNG
(WO2018148626, Example 152 | WO2022086828, Example ...)
Show SMILES Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022086828
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
HT29-L23 human colorectal adenocarcinoma cells were maintained in RPMI 1640 medium containing 10% heat-inactivated FBS, 1% Penicillin-Streptomycin an...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZZ4
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM534326
PNG
(WO2018148626, Example 152 | WO2022086828, Example ...)
Show SMILES Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022086828
n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 90.6 nM probe and 1 nM His-GST-TVMV-hRIPKl (1-324) in FRET Buffer (20 mM HE...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZZ4
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM534326
PNG
(WO2018148626, Example 152 | WO2022086828, Example ...)
Show SMILES Cc1ccc(c(F)c1C(=O)NCC[C@@H](O)c1ccc(Cl)cc1)-c1ccn2nc(N)nc2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022086828
n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 90.6 nM probe and 1 nM His-GST-TVMV-hRIPKl (1-324) in FRET Buffer (20 mM HE...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2M32ZZ4
More data for this
Ligand-Target Pair