BDBM400819 QL-XII-44::US10000483, Compound II-12

SMILES: C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1

InChI Key: InChIKey=BZWACBLCIHAEKY-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 400819   

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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM400819 (QL-XII-44 | US10000483, Compound II-12) Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.62	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM400819 (QL-XII-44 | US10000483, Compound II-12) Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM400819 (QL-XII-44 | US10000483, Compound II-12) Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM400819 (QL-XII-44 | US10000483, Compound II-12) Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	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 full length His-tagged human BMX expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM400819 (QL-XII-44 | US10000483, Compound II-12) Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	191	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 full length His-tagged human BLK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM400819 (QL-XII-44 | US10000483, Compound II-12) Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	983	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 GST-tagged human JAK3 expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 1 ...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM400819 (QL-XII-44 | US10000483, Compound II-12) Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2	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	7.20	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 BTK autophosphorylation at Y223 in anti-IgM stimulated human MOLM13 cells after 4 hrs by chemiluminescence assay				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM400819 (QL-XII-44 | US10000483, Compound II-12) Show SMILES C=CC(=O)N1CCc2ccc(cc12)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 Show InChI InChI=1S/C32H22N4O2/c1-2-30(37)35-14-13-20-7-10-25(17-29(20)35)36-31(38)12-9-23-18-34-28-11-8-21(16-26(28)32(23)36)24-15-22-5-3-4-6-27(22)33-19-24/h2-12,15-19H,1,13-14H2	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	59	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...				J Med Chem 52: 6621-36 (2009) BindingDB Entry DOI: 10.7270/Q2QF8W63
					More data for this Ligand-Target Pair