BDBM286373 US9518052, Example 155

SMILES: CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)S(C)(=O)=O)n1

InChI Key: InChIKey=UMGZGNLRYMFJBD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 286373   

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 JAK1 (Homo sapiens (Human))	BDBM286373 (US9518052, Example 155) Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C23H26FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)20-11-19(26)17(12-25)23(28-20)27-13-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-12,25,30H,4,13H2,1-3H3,(H3,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286373 (US9518052, Example 155) Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C23H26FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)20-11-19(26)17(12-25)23(28-20)27-13-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-12,25,30H,4,13H2,1-3H3,(H3,26,27,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286373 (US9518052, Example 155) Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C23H26FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)20-11-19(26)17(12-25)23(28-20)27-13-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-12,25,30H,4,13H2,1-3H3,(H3,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM286373 (US9518052, Example 155) Show SMILES CCc1cc(O)c(F)cc1-c1cc(N)c(C=N)c(NCc2ccccc2N(C)S(C)(=O)=O)n1 Show InChI InChI=1S/C23H26FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)20-11-19(26)17(12-25)23(28-20)27-13-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-12,25,30H,4,13H2,1-3H3,(H3,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9518052 (2016) BindingDB Entry DOI: 10.7270/Q2736SZ5
					More data for this Ligand-Target Pair