BDBM400820 QL-XII-45::US10000483, Compound II-13

SMILES: Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1

InChI Key: InChIKey=GXANJKDFGYJBEM-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 400820   

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))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	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	13.3	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))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	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	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))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	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	13	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	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	98	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
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.64E+3	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))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	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	13	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 BTK (Homo sapiens (Human))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	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	6	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	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	5.64E+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 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 TEC (Homo sapiens (Human))	BDBM400820 (QL-XII-45 | US10000483, Compound II-13) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 Show InChI InChI=1S/C28H21N5O2/c1-2-26(34)32-12-11-17-3-7-21(14-24(17)32)33-27(35)10-6-20-16-30-23-8-4-18(13-22(23)28(20)33)19-5-9-25(29)31-15-19/h2-10,13-16H,1,11-12H2,(H2,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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