BDBM99685 US8501936, 186

SMILES: CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

InChI Key: InChIKey=XBHAPFBFXQNEGQ-ZCYQVOJMSA-N

Data: 3 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 3 hits for monomerid = 99685   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM99685 (US8501936, 186) Show SMILES CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H33N5O5S/c1-29(2,3)39-28(36)33-16-14-23(25(35)18-33)20-7-5-8-21(17-20)30-27-31-26-24(9-6-15-34(26)32-27)19-10-12-22(13-11-19)40(4,37)38/h5-13,15,17,23,25,35H,14,16,18H2,1-4H3,(H,30,32)/t23-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. US Patent					Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...				US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM99685 (US8501936, 186) Show SMILES CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H33N5O5S/c1-29(2,3)39-28(36)33-16-14-23(25(35)18-33)20-7-5-8-21(17-20)30-27-31-26-24(9-6-15-34(26)32-27)19-10-12-22(13-11-19)40(4,37)38/h5-13,15,17,23,25,35H,14,16,18H2,1-4H3,(H,30,32)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	71.1	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. US Patent					Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...				US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99685 (US8501936, 186) Show SMILES CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H33N5O5S/c1-29(2,3)39-28(36)33-16-14-23(25(35)18-33)20-7-5-8-21(17-20)30-27-31-26-24(9-6-15-34(26)32-27)19-10-12-22(13-11-19)40(4,37)38/h5-13,15,17,23,25,35H,14,16,18H2,1-4H3,(H,30,32)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.35	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. US Patent					Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...				US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455
					More data for this Ligand-Target Pair