BDBM249971 US10005782, Compound 97::US9447106, 97::US9556188, Compound 97

SMILES: NC(=O)c1c2NCCC(c3ccc(Cl)c(NC(=O)C=C)c3)n2nc1-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=BWOVWJAFPITQNY-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 = 249971   

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))	BDBM249971 (US10005782, Compound 97 | US9447106, 97 | US955618...) Show SMILES NC(=O)c1c2NCCC(c3ccc(Cl)c(NC(=O)C=C)c3)n2nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H24ClN5O3/c1-2-24(35)32-22-16-18(10-13-21(22)29)23-14-15-31-28-25(27(30)36)26(33-34(23)28)17-8-11-20(12-9-17)37-19-6-4-3-5-7-19/h2-13,16,23,31H,1,14-15H2,(H2,30,36)(H,32,35)	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))	BDBM249971 (US10005782, Compound 97 | US9447106, 97 | US955618...) Show SMILES NC(=O)c1c2NCCC(c3ccc(Cl)c(NC(=O)C=C)c3)n2nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H24ClN5O3/c1-2-24(35)32-22-16-18(10-13-21(22)29)23-14-15-31-28-25(27(30)36)26(33-34(23)28)17-8-11-20(12-9-17)37-19-6-4-3-5-7-19/h2-13,16,23,31H,1,14-15H2,(H2,30,36)(H,32,35)	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))	BDBM249971 (US10005782, Compound 97 | US9447106, 97 | US955618...) Show SMILES NC(=O)c1c2NCCC(c3ccc(Cl)c(NC(=O)C=C)c3)n2nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H24ClN5O3/c1-2-24(35)32-22-16-18(10-13-21(22)29)23-14-15-31-28-25(27(30)36)26(33-34(23)28)17-8-11-20(12-9-17)37-19-6-4-3-5-7-19/h2-13,16,23,31H,1,14-15H2,(H2,30,36)(H,32,35)	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