BDBM214688 US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol

SMILES: Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1

InChI Key:

Data: 7 IC50  4 Kd

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 11 hits for monomerid = 214688   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	25
Ambit Biosciences Corporation US Patent					Assay Description For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	25
Ambit Biosciences Corporation US Patent					Assay Description For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	25
Ambit Biosciences Corporation US Patent					Assay Description For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	25
Ambit Biosciences Corporation US Patent					Assay Description For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	<310	n/a	n/a	n/a	n/a	n/a	37
Ambit Biosciences Corporation US Patent					Assay Description The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	37
Ambit Biosciences Corporation US Patent					Assay Description The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	37
Ambit Biosciences Corporation US Patent					Assay Description The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	37
Ambit Biosciences Corporation US Patent					Assay Description The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	37
Ambit Biosciences Corporation US Patent					Assay Description The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	37
Ambit Biosciences Corporation US Patent					Assay Description The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM214688 (US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyraz...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	37
Ambit Biosciences Corporation US Patent					Assay Description The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug met...				US Patent US9295672 (2016) BindingDB Entry DOI: 10.7270/Q2ZP44ZX
					More data for this Ligand-Target Pair