BDBM50121385 CHEMBL3622128

SMILES: CNc1nc2n(CCCO)c(cc2c2n(C)cnc12)C(=O)N(C1CC1)C1CC1

InChI Key: InChIKey=JGPYDMJYMMTSLF-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 = 50121385   

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))	BDBM50121385 (CHEMBL3622128) Show SMILES CNc1nc2n(CCCO)c(cc2c2n(C)cnc12)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C20H26N6O2/c1-21-18-16-17(24(2)11-22-16)14-10-15(25(8-3-9-27)19(14)23-18)20(28)26(12-4-5-12)13-6-7-13/h10-13,27H,3-9H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation after 72 hrs by [3H]-thymidine incorporation assay				ACS Med Chem Lett 6: 845-9 (2015) BindingDB Entry DOI: 10.7270/Q2Q2421M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50121385 (CHEMBL3622128) Show SMILES CNc1nc2n(CCCO)c(cc2c2n(C)cnc12)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C20H26N6O2/c1-21-18-16-17(24(2)11-22-16)14-10-15(25(8-3-9-27)19(14)23-18)20(28)26(12-4-5-12)13-6-7-13/h10-13,27H,3-9H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant JAK3 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay				ACS Med Chem Lett 6: 845-9 (2015) BindingDB Entry DOI: 10.7270/Q2Q2421M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50121385 (CHEMBL3622128) Show SMILES CNc1nc2n(CCCO)c(cc2c2n(C)cnc12)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C20H26N6O2/c1-21-18-16-17(24(2)11-22-16)14-10-15(25(8-3-9-27)19(14)23-18)20(28)26(12-4-5-12)13-6-7-13/h10-13,27H,3-9H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay				ACS Med Chem Lett 6: 845-9 (2015) BindingDB Entry DOI: 10.7270/Q2Q2421M
					More data for this Ligand-Target Pair