BDBM50533680 CHEMBL4455068

SMILES: NC(=O)c1cnc(Nc2ccccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N

InChI Key: InChIKey=OGJWWUCDNHVDOY-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 = 50533680   

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))	BDBM50533680 (CHEMBL4455068) Show SMILES NC(=O)c1cnc(Nc2ccccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N Show InChI InChI=1S/C22H22N8O/c23-12-15-4-5-21(27-13-15)30-9-6-16(7-10-30)28-18-11-20(26-14-17(18)22(24)31)29-19-3-1-2-8-25-19/h1-5,8,11,13-14,16H,6-7,9-10H2,(H2,24,31)(H2,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 assessed as reduction in phosphorylation of Biotin-Lyn-Substrate-2 after 1 hr in presence of ATP by ELISA				Bioorg Med Chem 24: 4711-4722 (2016) Article DOI: 10.1016/j.bmc.2016.08.007
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50533680 (CHEMBL4455068) Show SMILES NC(=O)c1cnc(Nc2ccccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N Show InChI InChI=1S/C22H22N8O/c23-12-15-4-5-21(27-13-15)30-9-6-16(7-10-30)28-18-11-20(26-14-17(18)22(24)31)29-19-3-1-2-8-25-19/h1-5,8,11,13-14,16H,6-7,9-10H2,(H2,24,31)(H2,25,26,28,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells after 10 mins by Rb efflux assay				Bioorg Med Chem 24: 4711-4722 (2016) Article DOI: 10.1016/j.bmc.2016.08.007
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50533680 (CHEMBL4455068) Show SMILES NC(=O)c1cnc(Nc2ccccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N Show InChI InChI=1S/C22H22N8O/c23-12-15-4-5-21(27-13-15)30-9-6-16(7-10-30)28-18-11-20(26-14-17(18)22(24)31)29-19-3-1-2-8-25-19/h1-5,8,11,13-14,16H,6-7,9-10H2,(H2,24,31)(H2,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK1 assessed as reduction in phosphorylation of Biotin-Lyn-Substrate-2 after 1 hr in presence of ATP by ELISA				Bioorg Med Chem 24: 4711-4722 (2016) Article DOI: 10.1016/j.bmc.2016.08.007
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50533680 (CHEMBL4455068) Show SMILES NC(=O)c1cnc(Nc2ccccn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N Show InChI InChI=1S/C22H22N8O/c23-12-15-4-5-21(27-13-15)30-9-6-16(7-10-30)28-18-11-20(26-14-17(18)22(24)31)29-19-3-1-2-8-25-19/h1-5,8,11,13-14,16H,6-7,9-10H2,(H2,24,31)(H2,25,26,28,29)	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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 assessed as reduction in phosphorylation of Biotin-Lyn-Substrate-2 after 1 hr in presence of ATP by ELISA				Bioorg Med Chem 24: 4711-4722 (2016) Article DOI: 10.1016/j.bmc.2016.08.007
					More data for this Ligand-Target Pair