BDBM50402429 CHEMBL2207763

SMILES: CC(=O)Nc1ccc(cc1)-c1ccnc(NCC2CN(C2)C(=O)c2c(Cl)cccc2Cl)n1

InChI Key: InChIKey=DTVCSYNRPDBHIK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50402429   

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 JAK2 (Homo sapiens (Human))	BDBM50402429 (CHEMBL2207763) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(NCC2CN(C2)C(=O)c2c(Cl)cccc2Cl)n1 Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(31)28-17-7-5-16(6-8-17)20-9-10-26-23(29-20)27-11-15-12-30(13-15)22(32)21-18(24)3-2-4-19(21)25/h2-10,15H,11-13H2,1H3,(H,28,31)(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphorylation				Bioorg Med Chem Lett 22: 7653-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.007 BindingDB Entry DOI: 10.7270/Q2PZ59ZN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50402429 (CHEMBL2207763) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(NCC2CN(C2)C(=O)c2c(Cl)cccc2Cl)n1 Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(31)28-17-7-5-16(6-8-17)20-9-10-26-23(29-20)27-11-15-12-30(13-15)22(32)21-18(24)3-2-4-19(21)25/h2-10,15H,11-13H2,1H3,(H,28,31)(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of JAK2				Bioorg Med Chem Lett 22: 7653-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.007 BindingDB Entry DOI: 10.7270/Q2PZ59ZN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50402429 (CHEMBL2207763) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(NCC2CN(C2)C(=O)c2c(Cl)cccc2Cl)n1 Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(31)28-17-7-5-16(6-8-17)20-9-10-26-23(29-20)27-11-15-12-30(13-15)22(32)21-18(24)3-2-4-19(21)25/h2-10,15H,11-13H2,1H3,(H,28,31)(H,26,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of JAK3				Bioorg Med Chem Lett 22: 7653-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.007 BindingDB Entry DOI: 10.7270/Q2PZ59ZN
					More data for this Ligand-Target Pair