BDBM249995 US10005782, Compound 121::US9447106, 121::US9556188, Compound 121

SMILES: NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=BDVJOHVRDUTBJD-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 = 249995   

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))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	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	0.360	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))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	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	0.360	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))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	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	0.360	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))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	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	8.20	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.25	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))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	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	8.20	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))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	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	0.360	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))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.25	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))	BDBM249995 (US10005782, Compound 121 | US9447106, 121 | US9556...) Show SMILES NC(=O)c1c(nn2c3CCN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-12-19-20(13-15-29)30-25(27-19)22(24(26)32)23(28-30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-11,27H,1,12-15H2,(H2,26,32)	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	0.360	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