BDBM50035847 CHEMBL3359913

SMILES: CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O

InChI Key: InChIKey=NQMVPZBPGADIQN-VXGBXAGGSA-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 = 50035847   

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))	BDBM50035847 (CHEMBL3359913) Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r| Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by caliper assay				Bioorg Med Chem Lett 24: 5721-6 (2014) Article DOI: 10.1016/j.bmcl.2014.10.061 BindingDB Entry DOI: 10.7270/Q2D79D1K
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50035847 (CHEMBL3359913) Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r| Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by caliper assay				Bioorg Med Chem Lett 24: 5721-6 (2014) Article DOI: 10.1016/j.bmcl.2014.10.061 BindingDB Entry DOI: 10.7270/Q2D79D1K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50035847 (CHEMBL3359913) Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r| Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by filter assay				Bioorg Med Chem Lett 24: 5721-6 (2014) Article DOI: 10.1016/j.bmcl.2014.10.061 BindingDB Entry DOI: 10.7270/Q2D79D1K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50035847 (CHEMBL3359913) Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r| Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) bycaliper assay				Bioorg Med Chem Lett 24: 5721-6 (2014) Article DOI: 10.1016/j.bmcl.2014.10.061 BindingDB Entry DOI: 10.7270/Q2D79D1K
					More data for this Ligand-Target Pair