BDBM50434821 CHEMBL2387224

SMILES: Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1

InChI Key: InChIKey=IAFNAEGXTKTGHN-UHFFFAOYSA-N

Data: 9 KI  4 IC50  4 EC50

PDB links: 2 PDB IDs match this monomer.

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 17 hits for monomerid = 50434821   

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))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.80	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) 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				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	28	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				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	28	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)				J Med Chem 56: 4521-36 (2013) Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	28	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)				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				J Med Chem 56: 4521-36 (2013) Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				J Med Chem 56: 4521-36 (2013) Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.70E+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 pretreated for 20 minutes prior to addition of cyto...				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) assessed as inhibition of STAT3 phosphorylation by cell-based assay				J Med Chem 56: 4521-36 (2013) Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	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 pretreated for 20 minutes prior to addition of cyto...				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Eur J Med Chem 67: 175-87 (2013) Article DOI: 10.1016/j.ejmech.2013.03.070 BindingDB Entry DOI: 10.7270/Q2416ZGB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50434821 (CHEMBL2387224) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay				J Med Chem 56: 4521-36 (2013) Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0
					More data for this Ligand-Target Pair				3D Structure (crystal)