BDBM50288378 CHEMBL4162065

SMILES: CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O

InChI Key: InChIKey=IBJYRIBNJVAHAE-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 = 50288378   

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 JAK3 (Homo sapiens (Human))	BDBM50288378 (CHEMBL4162065) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by cal...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50288378 (CHEMBL4162065) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description GRAC: human PDE2A selective inhibitor				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288378 (CHEMBL4162065) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description GRAC: human IMPase 1 inhibitor				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair