BDBM585253 General Procedure for Preparation of 5′-(4-fluorophenyl)-3′-isopropyl-N-(4-(4-methylpiperazin-1-yl)phenyl)-1H,3′H-[2,4′-biimidazole]-4-carboxamide ::US11530197, Compound 112

SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1

InChI Key InChIKey=ZVDNXHUSIKGTSF-UHFFFAOYSA-N

Data  19 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 585253   

TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataKd:  4.30nMAssay Description:Binding affinity to human recombinant TNIK (1 to 367 residues) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 7.80nMAssay Description:Inhibition of human recombinant TNIK (1 to 367 residues) using RLGRDKYKTLRQI as substrate incubated for 40 mins in presence of Mg/ATP mix by scintill...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 15nMAssay Description:ATP-competitive inhibition of human recombinant TNIK (1 to 367 residues) in presence of 64 uM ATP by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 31nMAssay Description:Inhibition of human TNIKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetMitogen-activated protein kinase kinase kinase kinase 4(Human)
Insilico Medicine IP

US Patent
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 66nMAssay Description:MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
US Patent

TargetMitogen-activated protein kinase kinase kinase kinase 4(Human)
Insilico Medicine IP

US Patent
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 66nMAssay Description:The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
US Patent

TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 66nMAssay Description:The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
US Patent

TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 66nMAssay Description:TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
US Patent

TargetPlatelet-derived growth factor receptor alpha(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human PDGFR alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetMast/stem cell growth factor receptor Kit(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 100nMAssay Description:Inhibition human KitMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human EGFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetTyrosine-protein kinase Yes(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human YESMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetActivin receptor type-1B(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human ALK4More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 257nMAssay Description:ATP-competitive inhibition of human recombinant TNIK (1 to 367 residues) in presence of 2 mM ATP by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetTyrosine-protein kinase Lck(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 310nMAssay Description:Inhibition of human wild type partial length LCK (R207 to P509 residues) expressed in bacteria by Eurofins DiscoverX methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human wild type partial length VEGFR2 (R787 to P1253 residues) expressed in mammalian cells by Eurofins DiscoverX methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 8.40E+3nMAssay Description:Inhibition of human CHRM1 by Eurofins DiscoverX methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ErbB4More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human TNIKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetAurora kinase B(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585253BDBM585253(US11530197, Compound 112 | General Procedure for P...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human Aurora BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed