BDBM264204 (2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-pyrazol-4- yl)amino]pyrimidin-4- yl}-1H-indol-7- yl)-2-(4-methylpiperazin-1- yl)propanamide::US10167276, Example 25::US10654835, Example 25::US9714236, 25

SMILES: COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12

InChI Key:

Data: 13 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 13 hits for monomerid = 264204   

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
JAK1 (aa 866-1154) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair
JAK2 (aa 831-1132) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.62E+3	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair
JAK3 (aa 781-1124) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair
JAK1 (aa 866-1154) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0
					More data for this Ligand-Target Pair
JAK2 (aa 808-1132) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0
					More data for this Ligand-Target Pair
JAK3 (aa 811-1124) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392
					More data for this Ligand-Target Pair
JAK2 (aa 831-1132) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...				US Patent US10654835 (2020)
					More data for this Ligand-Target Pair
JAK3 (aa 781-1124) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...				US Patent US10654835 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (aa 866-1154) (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...				US Patent US10654835 (2020)
					More data for this Ligand-Target Pair