BDBM255320 US9481682, 69

SMILES: CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=VVAXKHBZTSPSHJ-MJGOQNOKSA-N

Data: 1 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 = 255320   

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))	BDBM255320 (US9481682, 69) Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N7O3/c1-2-42-21-13-16(28(41)36-22-14-18(9-10-34-22)29(30,31)32)4-7-20(21)24-25-26(33)35-11-12-38(25)27(37-24)17-3-5-19-6-8-23(40)39(19)15-17/h4,7,9-14,17,19H,2-3,5-6,8,15H2,1H3,(H2,33,35)(H,34,36,41)/t17-,19+/m1/s1	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	0.160	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9481682 (2016) BindingDB Entry DOI: 10.7270/Q2959GGM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255320 (US9481682, 69) Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N7O3/c1-2-42-21-13-16(28(41)36-22-14-18(9-10-34-22)29(30,31)32)4-7-20(21)24-25-26(33)35-11-12-38(25)27(37-24)17-3-5-19-6-8-23(40)39(19)15-17/h4,7,9-14,17,19H,2-3,5-6,8,15H2,1H3,(H2,33,35)(H,34,36,41)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255320 (US9481682, 69) Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N7O3/c1-2-42-21-13-16(28(41)36-22-14-18(9-10-34-22)29(30,31)32)4-7-20(21)24-25-26(33)35-11-12-38(25)27(37-24)17-3-5-19-6-8-23(40)39(19)15-17/h4,7,9-14,17,19H,2-3,5-6,8,15H2,1H3,(H2,33,35)(H,34,36,41)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255320 (US9481682, 69) Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N7O3/c1-2-42-21-13-16(28(41)36-22-14-18(9-10-34-22)29(30,31)32)4-7-20(21)24-25-26(33)35-11-12-38(25)27(37-24)17-3-5-19-6-8-23(40)39(19)15-17/h4,7,9-14,17,19H,2-3,5-6,8,15H2,1H3,(H2,33,35)(H,34,36,41)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair