BDBM250042 US10005782, Compound 164::US9447106, 164::US9556188, Compound 164

SMILES: Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C

InChI Key: InChIKey=BDFBZODVIHQKRH-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 250042   

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))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	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	1.60	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))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	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	1.60	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	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	1.60	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured a...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue preincubated for 1 hr followed by pervanadate o...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human BTK (393 to 659 residues) expressed in baculovirus infected Sf9 cells preincubated for 1 hr fol...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human BTK (393 to 659 residues) expressed in baculovirus infected Sf9 cells preincubated for 1 hr fol...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250042 (US10005782, Compound 164 | US9447106, 164 | US9556...) Show SMILES Cc1ccc(cc1)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H23N5O2/c1-3-19(29)26-17-7-5-4-6-16(17)18-12-13-25-23-20(22(24)30)21(27-28(18)23)15-10-8-14(2)9-11-15/h3-11,18,25H,1,12-13H2,2H3,(H2,24,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue preincubated for 1 hr followed by pervanadate o...				J Med Chem 62: 7923-7940 (2019) Article DOI: 10.1021/acs.jmedchem.9b00687
					More data for this Ligand-Target Pair