BDBM50533691 CHEMBL4466236

SMILES: Cc1nccc(Nc2cc(N[C@@H]3CCN(C[C@@H]3F)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1

InChI Key: InChIKey=MINAXHKBUIPUJE-DLBZAZTESA-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 = 50533691   

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))	BDBM50533691 (CHEMBL4466236) Show SMILES Cc1nccc(Nc2cc(N[C@@H]3CCN(C[C@@H]3F)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 |r| Show InChI InChI=1S/C22H22FN9O/c1-13-26-6-4-19(29-13)31-20-8-18(15(11-27-20)22(25)33)30-17-5-7-32(12-16(17)23)21-3-2-14(9-24)10-28-21/h2-4,6,8,10-11,16-17H,5,7,12H2,1H3,(H2,25,33)(H2,26,27,29,30,31)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	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)	BDBM50533691 (CHEMBL4466236) Show SMILES Cc1nccc(Nc2cc(N[C@@H]3CCN(C[C@@H]3F)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 |r| Show InChI InChI=1S/C22H22FN9O/c1-13-26-6-4-19(29-13)31-20-8-18(15(11-27-20)22(25)33)30-17-5-7-32(12-16(17)23)21-3-2-14(9-24)10-28-21/h2-4,6,8,10-11,16-17H,5,7,12H2,1H3,(H2,25,33)(H2,26,27,29,30,31)/t16-,17+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50533691 (CHEMBL4466236) Show SMILES Cc1nccc(Nc2cc(N[C@@H]3CCN(C[C@@H]3F)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 |r| Show InChI InChI=1S/C22H22FN9O/c1-13-26-6-4-19(29-13)31-20-8-18(15(11-27-20)22(25)33)30-17-5-7-32(12-16(17)23)21-3-2-14(9-24)10-28-21/h2-4,6,8,10-11,16-17H,5,7,12H2,1H3,(H2,25,33)(H2,26,27,29,30,31)/t16-,17+/m0/s1	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	0.390	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50533691 (CHEMBL4466236) Show SMILES Cc1nccc(Nc2cc(N[C@@H]3CCN(C[C@@H]3F)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 |r| Show InChI InChI=1S/C22H22FN9O/c1-13-26-6-4-19(29-13)31-20-8-18(15(11-27-20)22(25)33)30-17-5-7-32(12-16(17)23)21-3-2-14(9-24)10-28-21/h2-4,6,8,10-11,16-17H,5,7,12H2,1H3,(H2,25,33)(H2,26,27,29,30,31)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	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