BDBM50434781 CHEMBL2386641

SMILES: CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1

InChI Key: InChIKey=ODKRLHFQINJCSV-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 = 50434781   

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))	BDBM50434781 (CHEMBL2386641) Show SMILES CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C17H22N4O/c1-17(2,22)16-20-13-10-19-15-12(8-9-18-15)14(13)21(16)11-6-4-3-5-7-11/h8-11,22H,3-7H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50434781 (CHEMBL2386641) Show SMILES CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C17H22N4O/c1-17(2,22)16-20-13-10-19-15-12(8-9-18-15)14(13)21(16)11-6-4-3-5-7-11/h8-11,22H,3-7H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434781 (CHEMBL2386641) Show SMILES CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C17H22N4O/c1-17(2,22)16-20-13-10-19-15-12(8-9-18-15)14(13)21(16)11-6-4-3-5-7-11/h8-11,22H,3-7H2,1-2H3,(H,18,19)	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	n/a	n/a	330	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50434781 (CHEMBL2386641) Show SMILES CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C17H22N4O/c1-17(2,22)16-20-13-10-19-15-12(8-9-18-15)14(13)21(16)11-6-4-3-5-7-11/h8-11,22H,3-7H2,1-2H3,(H,18,19)	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	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for...				J Med Chem 56: 4764-85 (2013) Article DOI: 10.1021/jm4004895 BindingDB Entry DOI: 10.7270/Q2CV4K40
					More data for this Ligand-Target Pair