BDBM250087 US9447106, 33a (peak 1)::US9556188, Compound 33b

SMILES: NC(=O)c1c2NCC[C@H](CNC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=JTLIXOUWXJJHBC-MRXNPFEDSA-N

Data: 2 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 2 hits for monomerid = 250087   

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))	BDBM250087 (US9447106, 33a (peak 1) | US9556188, Compound 33b) Show SMILES NC(=O)c1c2NCC[C@H](CNC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H23N5O3/c1-2-19(29)26-14-16-12-13-25-23-20(22(24)30)21(27-28(16)23)15-8-10-18(11-9-15)31-17-6-4-3-5-7-17/h2-11,16,25H,1,12-14H2,(H2,24,30)(H,26,29)/t16-/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	11	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9556188 (2017) BindingDB Entry DOI: 10.7270/Q26Q2082
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250087 (US9447106, 33a (peak 1) | US9556188, Compound 33b) Show SMILES NC(=O)c1c2NCC[C@H](CNC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H23N5O3/c1-2-19(29)26-14-16-12-13-25-23-20(22(24)30)21(27-28(16)23)15-8-10-18(11-9-15)31-17-6-4-3-5-7-17/h2-11,16,25H,1,12-14H2,(H2,24,30)(H,26,29)/t16-/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	0.600	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9447106 (2016) BindingDB Entry DOI: 10.7270/Q21Z439C
					More data for this Ligand-Target Pair