BDBM439303 US10633348, Compound (A-17)

SMILES: CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=QAAYUMBDRYKVMM-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 = 439303   

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 BTK (Homo sapiens (Human))	BDBM439303 (US10633348, Compound (A-17)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020)
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM439303 (US10633348, Compound (A-17)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020)
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2 (Homo sapiens (Human))	BDBM439303 (US10633348, Compound (A-17)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM439303 (US10633348, Compound (A-17)) Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...				US Patent US10633348 (2020)
					More data for this Ligand-Target Pair