BDBM288374 US10087188, Example 13

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](C1)C(O)=O

InChI Key: InChIKey=IBIYTZIJGUPNIQ-CVEARBPZSA-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 = 288374   

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))	BDBM288374 (US10087188, Example 13) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H21F3N6O3/c26-25(27,28)17-7-8-30-18(12-17)32-23(35)14-3-1-13(2-4-14)19-20-21(29)31-9-10-34(20)22(33-19)15-5-6-16(11-15)24(36)37/h1-4,7-10,12,15-16H,5-6,11H2,(H2,29,31)(H,36,37)(H,30,32,35)/t15-,16+/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	0.660	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288374 (US10087188, Example 13) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H21F3N6O3/c26-25(27,28)17-7-8-30-18(12-17)32-23(35)14-3-1-13(2-4-14)19-20-21(29)31-9-10-34(20)22(33-19)15-5-6-16(11-15)24(36)37/h1-4,7-10,12,15-16H,5-6,11H2,(H2,29,31)(H,36,37)(H,30,32,35)/t15-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co Inc Curated by ChEMBL					Assay Description Inhibition of 6-His-tagged recombinant full length BTK (unknown origin) expressed in baculovirus-transfected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-N...				Bioorg Med Chem Lett 27: 1471-1477 (2017) BindingDB Entry DOI: 10.7270/Q20867K5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM288374 (US10087188, Example 13) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C25H21F3N6O3/c26-25(27,28)17-7-8-30-18(12-17)32-23(35)14-3-1-13(2-4-14)19-20-21(29)31-9-10-34(20)22(33-19)15-5-6-16(11-15)24(36)37/h1-4,7-10,12,15-16H,5-6,11H2,(H2,29,31)(H,36,37)(H,30,32,35)/t15-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co Inc Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC				Bioorg Med Chem Lett 27: 1471-1477 (2017) BindingDB Entry DOI: 10.7270/Q20867K5
					More data for this Ligand-Target Pair