BDBM50245588 CHEMBL4085868

SMILES: CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1

InChI Key: InChIKey=AQBOZCORBWWYIG-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50245588   

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))	BDBM50245588 (CHEMBL4085868) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H38N6O5/c1-6-33(43)38-31-21-26(12-15-29(31)35(45)42-16-18-47-19-17-42)37-32-20-25(22-41(5)36(32)46)28-8-7-9-30(23(28)2)39-34(44)24-10-13-27(14-11-24)40(3)4/h6-15,20-22,37H,1,16-19H2,2-5H3,(H,38,43)(H,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50245588 (CHEMBL4085868) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H38N6O5/c1-6-33(43)38-31-21-26(12-15-29(31)35(45)42-16-18-47-19-17-42)37-32-20-25(22-41(5)36(32)46)28-8-7-9-30(23(28)2)39-34(44)24-10-13-27(14-11-24)40(3)4/h6-15,20-22,37H,1,16-19H2,2-5H3,(H,38,43)(H,39,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245588 (CHEMBL4085868) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H38N6O5/c1-6-33(43)38-31-21-26(12-15-29(31)35(45)42-16-18-47-19-17-42)37-32-20-25(22-41(5)36(32)46)28-8-7-9-30(23(28)2)39-34(44)24-10-13-27(14-11-24)40(3)4/h6-15,20-22,37H,1,16-19H2,2-5H3,(H,38,43)(H,39,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged wild-type EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using p...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50245588 (CHEMBL4085868) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H38N6O5/c1-6-33(43)38-31-21-26(12-15-29(31)35(45)42-16-18-47-19-17-42)37-32-20-25(22-41(5)36(32)46)28-8-7-9-30(23(28)2)39-34(44)24-10-13-27(14-11-24)40(3)4/h6-15,20-22,37H,1,16-19H2,2-5H3,(H,38,43)(H,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245588 (CHEMBL4085868) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H38N6O5/c1-6-33(43)38-31-21-26(12-15-29(31)35(45)42-16-18-47-19-17-42)37-32-20-25(22-41(5)36(32)46)28-8-7-9-30(23(28)2)39-34(44)24-10-13-27(14-11-24)40(3)4/h6-15,20-22,37H,1,16-19H2,2-5H3,(H,38,43)(H,39,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair