BDBM250017 US10005782, Compound 139::US9447106, 139::US9556188, Compound 139

SMILES: NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)c(Cl)c1

InChI Key: InChIKey=MJLAXJYQTXNTEN-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 = 250017   

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))	BDBM250017 (US10005782, Compound 139 | US9447106, 139 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C25H24ClN5O3/c1-2-21(32)30-13-16(14-30)19-10-11-28-25-22(24(27)33)23(29-31(19)25)15-8-9-20(18(26)12-15)34-17-6-4-3-5-7-17/h2-9,12,16,19,28H,1,10-11,13-14H2,(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	0.440	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))	BDBM250017 (US10005782, Compound 139 | US9447106, 139 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C25H24ClN5O3/c1-2-21(32)30-13-16(14-30)19-10-11-28-25-22(24(27)33)23(29-31(19)25)15-8-9-20(18(26)12-15)34-17-6-4-3-5-7-17/h2-9,12,16,19,28H,1,10-11,13-14H2,(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	0.440	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))	BDBM250017 (US10005782, Compound 139 | US9447106, 139 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C25H24ClN5O3/c1-2-21(32)30-13-16(14-30)19-10-11-28-25-22(24(27)33)23(29-31(19)25)15-8-9-20(18(26)12-15)34-17-6-4-3-5-7-17/h2-9,12,16,19,28H,1,10-11,13-14H2,(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	0.440	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