BDBM249893 US10005782, Compound 20b::US9447106, 20::US9556188, Compound 20

SMILES: NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1

InChI Key: InChIKey=SKKIKHFBSXYTQB-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 249893   

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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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	1.20	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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	110	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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	2.5	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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	1.20	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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	120	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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	2.5	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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	1.20	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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	120	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))	BDBM249893 (US10005782, Compound 20b | US9447106, 20 | US95561...) Show SMILES NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1 Show InChI InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)	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