null

SMILES: CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12

InChI Key: InChIKey=DYDGQEDVYCTGMO-GOSISDBHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 267867   

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))	BDBM267867 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O3/c1-29(14-42-15-29)28(41)38-9-2-3-18(13-38)26-37-22(23-25(33)35-8-10-39(23)26)19-5-4-17(11-20(19)30)27(40)36-21-12-16(24(31)32)6-7-34-21/h4-8,10-12,18,24H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t18-/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	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. 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 US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267867 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O3/c1-29(14-42-15-29)28(41)38-9-2-3-18(13-38)26-37-22(23-25(33)35-8-10-39(23)26)19-5-4-17(11-20(19)30)27(40)36-21-12-16(24(31)32)6-7-34-21/h4-8,10-12,18,24H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t18-/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	54	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))	BDBM267867 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O3/c1-29(14-42-15-29)28(41)38-9-2-3-18(13-38)26-37-22(23-25(33)35-8-10-39(23)26)19-5-4-17(11-20(19)30)27(40)36-21-12-16(24(31)32)6-7-34-21/h4-8,10-12,18,24H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t18-/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	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair