BDBM50250924 CHEMBL4098999

SMILES: NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C1CC1)[C@H]1COCC[C@@H]1C#N

InChI Key: InChIKey=TVPHOWHXHQROEH-KDOFPFPSSA-N

Data: 6 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 6 hits for monomerid = 50250924   

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))	BDBM50250924 (CHEMBL4098999) Show SMILES NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C1CC1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C20H20N6O2/c21-8-13-3-4-15(7-16(13)12-1-2-12)24-20-17(19(23)27)10-26(25-20)18-11-28-6-5-14(18)9-22/h3-4,7,10,12,14,18H,1-2,5-6,11H2,(H2,23,27)(H,24,25)/t14-,18+/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	>1.50E+3	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))	BDBM50250924 (CHEMBL4098999) Show SMILES NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C1CC1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C20H20N6O2/c21-8-13-3-4-15(7-16(13)12-1-2-12)24-20-17(19(23)27)10-26(25-20)18-11-28-6-5-14(18)9-22/h3-4,7,10,12,14,18H,1-2,5-6,11H2,(H2,23,27)(H,24,25)/t14-,18+/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	40	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 JAK2 (Homo sapiens (Human))	BDBM50250924 (CHEMBL4098999) Show SMILES NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C1CC1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C20H20N6O2/c21-8-13-3-4-15(7-16(13)12-1-2-12)24-20-17(19(23)27)10-26(25-20)18-11-28-6-5-14(18)9-22/h3-4,7,10,12,14,18H,1-2,5-6,11H2,(H2,23,27)(H,24,25)/t14-,18+/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	744	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))	BDBM50250924 (CHEMBL4098999) Show SMILES NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C1CC1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C20H20N6O2/c21-8-13-3-4-15(7-16(13)12-1-2-12)24-20-17(19(23)27)10-26(25-20)18-11-28-6-5-14(18)9-22/h3-4,7,10,12,14,18H,1-2,5-6,11H2,(H2,23,27)(H,24,25)/t14-,18+/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	72	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 JAK1 (Homo sapiens (Human))	BDBM50250924 (CHEMBL4098999) Show SMILES NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C1CC1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C20H20N6O2/c21-8-13-3-4-15(7-16(13)12-1-2-12)24-20-17(19(23)27)10-26(25-20)18-11-28-6-5-14(18)9-22/h3-4,7,10,12,14,18H,1-2,5-6,11H2,(H2,23,27)(H,24,25)/t14-,18+/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	1.40	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))	BDBM50250924 (CHEMBL4098999) Show SMILES NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C1CC1)[C@H]1COCC[C@@H]1C#N |r| Show InChI InChI=1S/C20H20N6O2/c21-8-13-3-4-15(7-16(13)12-1-2-12)24-20-17(19(23)27)10-26(25-20)18-11-28-6-5-14(18)9-22/h3-4,7,10,12,14,18H,1-2,5-6,11H2,(H2,23,27)(H,24,25)/t14-,18+/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	16	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