BDBM50384876 CHEMBL2035182

SMILES: COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3

InChI Key: InChIKey=GBFWZCHKVJJGKE-ONEGZZNKSA-N

Data: 6 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 6 hits for monomerid = 50384876   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50384876 (CHEMBL2035182) Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24| Show InChI InChI=1S/C24H28N4O3S/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant CDK2 using RbING as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50384876 (CHEMBL2035182) Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24| Show InChI InChI=1S/C24H28N4O3S/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of TYK2				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50384876 (CHEMBL2035182) Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24| Show InChI InChI=1S/C24H28N4O3S/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK3 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50384876 (CHEMBL2035182) Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24| Show InChI InChI=1S/C24H28N4O3S/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+	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	170	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50384876 (CHEMBL2035182) Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24| Show InChI InChI=1S/C24H28N4O3S/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using poly(Glu,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50384876 (CHEMBL2035182) Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24| Show InChI InChI=1S/C24H28N4O3S/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+	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	390	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair