BDBM50530775 CHEMBL4526498

SMILES: Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1

InChI Key: InChIKey=NOBDJIJWLYSJPQ-CQSZACIVSA-N

Data: 8 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 8 hits for monomerid = 50530775   

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 JAK3 (Homo sapiens (Human))	BDBM50530775 (CHEMBL4526498) Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r| Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50530775 (CHEMBL4526498) Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r| Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50530775 (CHEMBL4526498) Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r| Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate me...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50530775 (CHEMBL4526498) Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r| Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1/3 in human Ramos cells harboring beta-lactamase reporter gene assessed as reduction in IL4-induced STAT6 phosphorylation incubated...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50530775 (CHEMBL4526498) Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r| Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50530775 (CHEMBL4526498) Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r| Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50530775 (CHEMBL4526498) Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r| Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate me...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50530775 (CHEMBL4526498) Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r| Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1/3 in human Ramos cells harboring beta-lactamase reporter gene assessed as reduction in IL4-induced STAT6 phosphorylation incubated...				J Med Chem 62: 9045-9060 (2019) Article DOI: 10.1021/acs.jmedchem.9b00533
					More data for this Ligand-Target Pair