null

SMILES: COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=NRGKJUHDGAKVTP-FUHWJXTLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 267792   

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))	BDBM267792 (4-{8-amino-3-[(3R,6S)-6-methyl-1-propanoylpiperidi...) Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F4N7O3/c1-16-3-4-18(15-40(16)23(41)8-12-43-2)27-38-24(25-26(34)36-10-11-39(25)27)20-6-5-17(13-21(20)30)28(42)37-22-14-19(7-9-35-22)29(31,32)33/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t16-,18+/m0/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))	BDBM267792 (4-{8-amino-3-[(3R,6S)-6-methyl-1-propanoylpiperidi...) Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F4N7O3/c1-16-3-4-18(15-40(16)23(41)8-12-43-2)27-38-24(25-26(34)36-10-11-39(25)27)20-6-5-17(13-21(20)30)28(42)37-22-14-19(7-9-35-22)29(31,32)33/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t16-,18+/m0/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	2	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))	BDBM267792 (4-{8-amino-3-[(3R,6S)-6-methyl-1-propanoylpiperidi...) Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F4N7O3/c1-16-3-4-18(15-40(16)23(41)8-12-43-2)27-38-24(25-26(34)36-10-11-39(25)27)20-6-5-17(13-21(20)30)28(42)37-22-14-19(7-9-35-22)29(31,32)33/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t16-,18+/m0/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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair