BDBM50261267 CHEMBL4097446

SMILES: Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCN(CC3)C3COC3)c2[nH]1

InChI Key: InChIKey=AUBIFSRYSKQIJW-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 = 50261267   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261267 (CHEMBL4097446) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCN(CC3)C3COC3)c2[nH]1 Show InChI InChI=1S/C23H22Cl2N8O/c24-15-2-1-3-16(25)20(15)22-29-17-4-5-26-23(21(17)31-22)30-18-10-19(28-13-27-18)33-8-6-32(7-9-33)14-11-34-12-14/h1-5,10,13-14H,6-9,11-12H2,(H,29,31)(H,26,27,28,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50261267 (CHEMBL4097446) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCN(CC3)C3COC3)c2[nH]1 Show InChI InChI=1S/C23H22Cl2N8O/c24-15-2-1-3-16(25)20(15)22-29-17-4-5-26-23(21(17)31-22)30-18-10-19(28-13-27-18)33-8-6-32(7-9-33)14-11-34-12-14/h1-5,10,13-14H,6-9,11-12H2,(H,29,31)(H,26,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50261267 (CHEMBL4097446) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCN(CC3)C3COC3)c2[nH]1 Show InChI InChI=1S/C23H22Cl2N8O/c24-15-2-1-3-16(25)20(15)22-29-17-4-5-26-23(21(17)31-22)30-18-10-19(28-13-27-18)33-8-6-32(7-9-33)14-11-34-12-14/h1-5,10,13-14H,6-9,11-12H2,(H,29,31)(H,26,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	820	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) assessed as reduction in EPO-mediated STAT5 phosphorylation by cell based readout assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261267 (CHEMBL4097446) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCN(CC3)C3COC3)c2[nH]1 Show InChI InChI=1S/C23H22Cl2N8O/c24-15-2-1-3-16(25)20(15)22-29-17-4-5-26-23(21(17)31-22)30-18-10-19(28-13-27-18)33-8-6-32(7-9-33)14-11-34-12-14/h1-5,10,13-14H,6-9,11-12H2,(H,29,31)(H,26,27,28,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair