BDBM50538463 CHEMBL4647318

SMILES: C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3nc[nH]c3n2)cc1

InChI Key: InChIKey=MGQRDJVJAHQZIW-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50538463   

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 SYK (Homo sapiens (Human))	BDBM50538463 (CHEMBL4647318) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3nc[nH]c3n2)cc1 Show InChI InChI=1S/C25H25N9O/c1-3-18(32-9-11-33(12-10-32)19-14-35-15-19)4-2-17(1)29-24-25-26-7-8-34(25)13-22(31-24)20-5-6-21-23(30-20)28-16-27-21/h1-8,13,16,19H,9-12,14-15H2,(H,29,31)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538463 (CHEMBL4647318) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3nc[nH]c3n2)cc1 Show InChI InChI=1S/C25H25N9O/c1-3-18(32-9-11-33(12-10-32)19-14-35-15-19)4-2-17(1)29-24-25-26-7-8-34(25)13-22(31-24)20-5-6-21-23(30-20)28-16-27-21/h1-8,13,16,19H,9-12,14-15H2,(H,29,31)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-induced basophil activation by measuring decrease in CD63 surfac...				ACS Med Chem Lett 11: 506-513 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538463 (CHEMBL4647318) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3nc[nH]c3n2)cc1 Show InChI InChI=1S/C25H25N9O/c1-3-18(32-9-11-33(12-10-32)19-14-35-15-19)4-2-17(1)29-24-25-26-7-8-34(25)13-22(31-24)20-5-6-21-23(30-20)28-16-27-21/h1-8,13,16,19H,9-12,14-15H2,(H,29,31)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK in human Ramos cells assessed as reduction in antihuman IgM F(ab)2-induced phosphorylation of BLNK at Y96 residue preincubated for ...				ACS Med Chem Lett 11: 506-513 (2020)
					More data for this Ligand-Target Pair