BDBM50184780 CHEMBL3823255::US10294227, Code 526

SMILES: COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

InChI Key: InChIKey=QUFURWJAQILIFO-UHFFFAOYSA-N

Data: 17 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 17 hits for monomerid = 50184780   

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 ABL1 (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by ChEMBL					Assay Description Inhibition of human ABL using EAIYAAPFAKKK as substrate in presence of [gamma-33P]ATP				J Med Chem 59: 4697-710 (2016) BindingDB Entry DOI: 10.7270/Q2B85B2D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BRK (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase FRK (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase HCK (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 μM or 10 μM with 10 μM ATP, by Reaction...				Bioorg Med Chem Lett 19: 773-7 (2009) BindingDB Entry DOI: 10.7270/Q27D2XFP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50184780 (CHEMBL3823255 | US10294227, Code 526) Show SMILES COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C27H40N8O2/c1-27(2,3)16-22(36)31-20-8-7-18(15-21(20)37-6)24-23-25(28)29-17-30-26(23)35(32-24)14-13-34-11-9-19(10-12-34)33(4)5/h7-8,15,17,19H,9-14,16H2,1-6H3,(H,31,36)(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as substrate meas...				J Med Chem 59: 4697-710 (2016) BindingDB Entry DOI: 10.7270/Q2B85B2D
					More data for this Ligand-Target Pair