BDBM50109530 CHEMBL3601235

SMILES: Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1

InChI Key: InChIKey=HJOAVUHTQSUCDC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50109530   

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))	BDBM50109530 (CHEMBL3601235) Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1 Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-21(34)30-16-5-3-4-15(10-16)13-28-23-18(25)14-29-24(32-23)31-17-11-19(26)22(20(27)12-17)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by Z'-Lyte assay				J Med Chem 58: 6589-606 (2015) BindingDB Entry DOI: 10.7270/Q2833TSH
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50109530 (CHEMBL3601235) Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1 Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-21(34)30-16-5-3-4-15(10-16)13-28-23-18(25)14-29-24(32-23)31-17-11-19(26)22(20(27)12-17)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of TTK (unknown origin) by LanthaScreen assay				J Med Chem 58: 6589-606 (2015) BindingDB Entry DOI: 10.7270/Q2833TSH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50109530 (CHEMBL3601235) Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1 Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-21(34)30-16-5-3-4-15(10-16)13-28-23-18(25)14-29-24(32-23)31-17-11-19(26)22(20(27)12-17)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) by Z'-Lyte assay				J Med Chem 58: 6589-606 (2015) BindingDB Entry DOI: 10.7270/Q2833TSH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50109530 (CHEMBL3601235) Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1 Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-21(34)30-16-5-3-4-15(10-16)13-28-23-18(25)14-29-24(32-23)31-17-11-19(26)22(20(27)12-17)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by Z'-Lyte assay				J Med Chem 58: 6589-606 (2015) BindingDB Entry DOI: 10.7270/Q2833TSH
					More data for this Ligand-Target Pair