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  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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:  4.30nMMore 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: 7.80nMMore 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: 15nMMore 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: 31nMMore 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: 100nMMore 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: 100nMMore 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: 100nMMore 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: 100nMMore 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: 100nMMore 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: 257nMMore 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: 310nMMore 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+3nMMore 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+3nMMore 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+4nMMore 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+4nMMore 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+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed