BDBM50533681 CHEMBL4591633

SMILES: Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1

InChI Key: InChIKey=QMIQJOUVTUIKMM-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 = 50533681   

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 JAK1 (Homo sapiens (Human))	BDBM50533681 (CHEMBL4591633) Show SMILES Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 Show InChI InChI=1S/C22H23N9O/c1-14-25-7-4-19(28-14)30-20-10-18(17(13-26-20)22(24)32)29-16-5-8-31(9-6-16)21-3-2-15(11-23)12-27-21/h2-4,7,10,12-13,16H,5-6,8-9H2,1H3,(H2,24,32)(H2,25,26,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	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 JAK2 (Homo sapiens (Human))	BDBM50533681 (CHEMBL4591633) Show SMILES Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 Show InChI InChI=1S/C22H23N9O/c1-14-25-7-4-19(28-14)30-20-10-18(17(13-26-20)22(24)32)29-16-5-8-31(9-6-16)21-3-2-15(11-23)12-27-21/h2-4,7,10,12-13,16H,5-6,8-9H2,1H3,(H2,24,32)(H2,25,26,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	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)	BDBM50533681 (CHEMBL4591633) Show SMILES Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 Show InChI InChI=1S/C22H23N9O/c1-14-25-7-4-19(28-14)30-20-10-18(17(13-26-20)22(24)32)29-16-5-8-31(9-6-16)21-3-2-15(11-23)12-27-21/h2-4,7,10,12-13,16H,5-6,8-9H2,1H3,(H2,24,32)(H2,25,26,28,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	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 JAK3 (Homo sapiens (Human))	BDBM50533681 (CHEMBL4591633) Show SMILES Cc1nccc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 Show InChI InChI=1S/C22H23N9O/c1-14-25-7-4-19(28-14)30-20-10-18(17(13-26-20)22(24)32)29-16-5-8-31(9-6-16)21-3-2-15(11-23)12-27-21/h2-4,7,10,12-13,16H,5-6,8-9H2,1H3,(H2,24,32)(H2,25,26,28,29,30)	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	0.360	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