BDBM50441549 CHEMBL2436965

SMILES: O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12

InChI Key: InChIKey=RSGDPBGFGVDKNP-PSASIEDQSA-N

Data: 4 KI  4 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 8 hits for monomerid = 50441549   

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))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/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	214	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 JAK1 (Homo sapiens (Human))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/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	670	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))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/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	248	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50441549 (CHEMBL2436965) Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r| Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/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	230	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