BDBM50109531 CHEMBL3601231

SMILES: Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=ADSRAQFBQNFKGE-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 = 50109531   

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))	BDBM50109531 (CHEMBL3601231) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-19-5-3-4-17(14-19)15-26-23-21(25)16-27-24(30-23)29-18-6-8-20(9-7-18)31-10-12-33-13-11-31/h2-9,14,16H,1,10-13,15H2,(H,28,32)(H2,26,27,29,30)	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	1.30	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))	BDBM50109531 (CHEMBL3601231) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-19-5-3-4-17(14-19)15-26-23-21(25)16-27-24(30-23)29-18-6-8-20(9-7-18)31-10-12-33-13-11-31/h2-9,14,16H,1,10-13,15H2,(H,28,32)(H2,26,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	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))	BDBM50109531 (CHEMBL3601231) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-19-5-3-4-17(14-19)15-26-23-21(25)16-27-24(30-23)29-18-6-8-20(9-7-18)31-10-12-33-13-11-31/h2-9,14,16H,1,10-13,15H2,(H,28,32)(H2,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	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))	BDBM50109531 (CHEMBL3601231) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-19-5-3-4-17(14-19)15-26-23-21(25)16-27-24(30-23)29-18-6-8-20(9-7-18)31-10-12-33-13-11-31/h2-9,14,16H,1,10-13,15H2,(H,28,32)(H2,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	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