BDBM50441557 CHEMBL2436945

SMILES: CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1

InChI Key: InChIKey=OUAYPLUHINPFJL-MWLCHTKSSA-N

Data: 4 KI  5 IC50  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 11 hits for monomerid = 50441557   

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))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of Tyk2 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	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	n/a	n/a	300	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) assessed as reduction of IL6-induced STAT3 phosphorylation by cell based assay				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	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	n/a	n/a	115	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) assessed as reduction of EPO-induced STAT5 phosphorylation by cell based assay				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB MMDB 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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50441557 (CHEMBL2436945) Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r| Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1	PDB MMDB 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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 23: 5923-30 (2013) Article DOI: 10.1016/j.bmcl.2013.08.082 BindingDB Entry DOI: 10.7270/Q2ST7R9T
					More data for this Ligand-Target Pair