BDBM249966 US10005782, Compound 92::US9447106, 92::US9556188, Compound 92

SMILES: CN(C)C\C=C\C(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=MXEJDZYBVYIGMP-MDWZMJQESA-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 = 249966   

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))	BDBM249966 (US10005782, Compound 92 | US9447106, 92 | US955618...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H32N6O3/c1-36(2)20-8-13-27(38)34-25-12-7-6-11-24(25)26-18-19-33-31-28(30(32)39)29(35-37(26)31)21-14-16-23(17-15-21)40-22-9-4-3-5-10-22/h3-17,26,33H,18-20H2,1-2H3,(H2,32,39)(H,34,38)/b13-8+	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))	BDBM249966 (US10005782, Compound 92 | US9447106, 92 | US955618...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H32N6O3/c1-36(2)20-8-13-27(38)34-25-12-7-6-11-24(25)26-18-19-33-31-28(30(32)39)29(35-37(26)31)21-14-16-23(17-15-21)40-22-9-4-3-5-10-22/h3-17,26,33H,18-20H2,1-2H3,(H2,32,39)(H,34,38)/b13-8+	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))	BDBM249966 (US10005782, Compound 92 | US9447106, 92 | US955618...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H32N6O3/c1-36(2)20-8-13-27(38)34-25-12-7-6-11-24(25)26-18-19-33-31-28(30(32)39)29(35-37(26)31)21-14-16-23(17-15-21)40-22-9-4-3-5-10-22/h3-17,26,33H,18-20H2,1-2H3,(H2,32,39)(H,34,38)/b13-8+	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