BDBM249996 US10005782, Compound 122::US9447106, 122::US9556188, Compound 122

SMILES: CN(C)C\C=C\C(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2CC1)-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=RKSWJHGSLYMWRE-RMKNXTFCSA-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 = 249996   

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))	BDBM249996 (US10005782, Compound 122 | US9447106, 122 | US9556...) Show SMILES CN(C)C\C=C\C(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2CC1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H30N6O3/c1-32(2)16-6-9-24(35)33-17-14-22-23(15-18-33)34-28(30-22)25(27(29)36)26(31-34)19-10-12-21(13-11-19)37-20-7-4-3-5-8-20/h3-13,30H,14-18H2,1-2H3,(H2,29,36)/b9-6+	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	0.780	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))	BDBM249996 (US10005782, Compound 122 | US9447106, 122 | US9556...) Show SMILES CN(C)C\C=C\C(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2CC1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H30N6O3/c1-32(2)16-6-9-24(35)33-17-14-22-23(15-18-33)34-28(30-22)25(27(29)36)26(31-34)19-10-12-21(13-11-19)37-20-7-4-3-5-8-20/h3-13,30H,14-18H2,1-2H3,(H2,29,36)/b9-6+	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	0.780	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))	BDBM249996 (US10005782, Compound 122 | US9447106, 122 | US9556...) Show SMILES CN(C)C\C=C\C(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2CC1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H30N6O3/c1-32(2)16-6-9-24(35)33-17-14-22-23(15-18-33)34-28(30-22)25(27(29)36)26(31-34)19-10-12-21(13-11-19)37-20-7-4-3-5-8-20/h3-13,30H,14-18H2,1-2H3,(H2,29,36)/b9-6+	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	0.780	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