BDBM50202467 CHEMBL3948663

SMILES: O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

InChI Key: InChIKey=GGDYPNFYGKVTEZ-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 = 50202467   

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))	BDBM50202467 (CHEMBL3948663) Show SMILES O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)	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	141	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...				Bioorg Med Chem 25: 75-83 (2017) Article DOI: 10.1016/j.bmc.2016.10.011 BindingDB Entry DOI: 10.7270/Q21Z46CH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50202467 (CHEMBL3948663) Show SMILES O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)	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	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth				Bioorg Med Chem 25: 75-83 (2017) Article DOI: 10.1016/j.bmc.2016.10.011 BindingDB Entry DOI: 10.7270/Q21Z46CH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50202467 (CHEMBL3948663) Show SMILES O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...				Bioorg Med Chem 25: 75-83 (2017) Article DOI: 10.1016/j.bmc.2016.10.011 BindingDB Entry DOI: 10.7270/Q21Z46CH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Mus musculus)	BDBM50202467 (CHEMBL3948663) Show SMILES O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth				Bioorg Med Chem 25: 75-83 (2017) Article DOI: 10.1016/j.bmc.2016.10.011 BindingDB Entry DOI: 10.7270/Q21Z46CH
					More data for this Ligand-Target Pair