BDBM50250919 CHEMBL4102140

SMILES: NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N

InChI Key: InChIKey=KLPJBSUBJNVPFZ-YGRLFVJLSA-N

Data: 7 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 7 hits for monomerid = 50250919   

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 JAK3 (Homo sapiens (Human))	BDBM50250919 (CHEMBL4102140) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H17F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)22-16-13(15(21)25)8-24(23-16)14-9-26-6-5-10(14)7-20/h1-4,8,10,14,17H,5-6,9H2,(H2,21,25)(H,22,23)/t10-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human JAK3 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50250919 (CHEMBL4102140) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H17F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)22-16-13(15(21)25)8-24(23-16)14-9-26-6-5-10(14)7-20/h1-4,8,10,14,17H,5-6,9H2,(H2,21,25)(H,22,23)/t10-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human TYK2 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 ...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50250919 (CHEMBL4102140) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H17F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)22-16-13(15(21)25)8-24(23-16)14-9-26-6-5-10(14)7-20/h1-4,8,10,14,17H,5-6,9H2,(H2,21,25)(H,22,23)/t10-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50250919 (CHEMBL4102140) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H17F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)22-16-13(15(21)25)8-24(23-16)14-9-26-6-5-10(14)7-20/h1-4,8,10,14,17H,5-6,9H2,(H2,21,25)(H,22,23)/t10-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 in EPO-stimulated human TF1 cells expressing stably integrated beta-lactamase reporter gene under control of STAT5 response elemen...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50250919 (CHEMBL4102140) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H17F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)22-16-13(15(21)25)8-24(23-16)14-9-26-6-5-10(14)7-20/h1-4,8,10,14,17H,5-6,9H2,(H2,21,25)(H,22,23)/t10-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 in IL6-stimulated human ME180 cells expressing stably integrated beta-lactamase reporter gene under control of sis-inducible eleme...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50250919 (CHEMBL4102140) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H17F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)22-16-13(15(21)25)8-24(23-16)14-9-26-6-5-10(14)7-20/h1-4,8,10,14,17H,5-6,9H2,(H2,21,25)(H,22,23)/t10-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Displacement of [35S]-MK499 from human ERG expressed in HEK293 cell membranes				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50250919 (CHEMBL4102140) Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C17H17F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)22-16-13(15(21)25)8-24(23-16)14-9-26-6-5-10(14)7-20/h1-4,8,10,14,17H,5-6,9H2,(H2,21,25)(H,22,23)/t10-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 in EPO-stimulated human TF1 cells expressing stably integrated beta-lactamase reporter gene under control of STAT5 response elemen...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair