BDBM249977 US10005782, Compound 103::US9447106, 103::US9556188, Compound 103

SMILES: NC(=O)c1c2NCCC(C3CCCN3C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=IFAFHAYKWFEZCA-UHFFFAOYSA-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 = 249977   

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))	BDBM249977 (US10005782, Compound 103 | US9447106, 103 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CCCN3C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)30-16-6-9-20(30)21-14-15-28-26-23(25(27)33)24(29-31(21)26)17-10-12-19(13-11-17)34-18-7-4-3-5-8-18/h2-5,7-8,10-13,20-21,28H,1,6,9,14-16H2,(H2,27,33)	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	1.10	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM249977 (US10005782, Compound 103 | US9447106, 103 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CCCN3C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)30-16-6-9-20(30)21-14-15-28-26-23(25(27)33)24(29-31(21)26)17-10-12-19(13-11-17)34-18-7-4-3-5-8-18/h2-5,7-8,10-13,20-21,28H,1,6,9,14-16H2,(H2,27,33)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				Bioorg Med Chem 17: 7755-68 (2009) BindingDB Entry DOI: 10.7270/Q29889BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM249977 (US10005782, Compound 103 | US9447106, 103 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CCCN3C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)30-16-6-9-20(30)21-14-15-28-26-23(25(27)33)24(29-31(21)26)17-10-12-19(13-11-17)34-18-7-4-3-5-8-18/h2-5,7-8,10-13,20-21,28H,1,6,9,14-16H2,(H2,27,33)	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	1.10	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