BDBM50250918 CHEMBL4104623

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

InChI Key: InChIKey=HSPSGYMCTYNNSC-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 = 50250918   

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))	BDBM50250918 (CHEMBL4104623) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C16H16FN5O2/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-9-24-6-5-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/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	304	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50250918 (CHEMBL4104623) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C16H16FN5O2/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-9-24-6-5-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/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	31	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))	BDBM50250918 (CHEMBL4104623) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C16H16FN5O2/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-9-24-6-5-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/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	334	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 JAK2 (Homo sapiens (Human))	BDBM50250918 (CHEMBL4104623) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C16H16FN5O2/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-9-24-6-5-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/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	2	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 JAK2 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 JAK1 (Homo sapiens (Human))	BDBM50250918 (CHEMBL4104623) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C16H16FN5O2/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-9-24-6-5-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/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	0.300	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50250918 (CHEMBL4104623) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C16H16FN5O2/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-9-24-6-5-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/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	4.00E+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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50250918 (CHEMBL4104623) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C16H16FN5O2/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-9-24-6-5-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/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	1.80	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