BDBM50007104 CHEMBL3237572::US10112928, Compound I-17

SMILES: CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O

InChI Key: InChIKey=MXHGIPNEGMISFM-CYBMUJFWSA-N

Data: 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 4 hits for monomerid = 50007104   

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))	BDBM50007104 (CHEMBL3237572 | US10112928, Compound I-17) Show SMILES CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O |r| Show InChI InChI=1S/C20H31N7O/c1-12(2)9-13(11-21)23-17-10-14(18(19(22)28)27-26-17)24-16-8-6-7-15(25-16)20(3,4)5/h6-8,10,12-13H,9,11,21H2,1-5H3,(H2,22,28)(H2,23,24,25,26)/t13-/m1/s1	PDB MMDB NCI pathway 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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ...				J Med Chem 57: 2683-91 (2014) Article DOI: 10.1021/jm401982j BindingDB Entry DOI: 10.7270/Q2HT2QTR
					More data for this Ligand-Target Pair
SYK RPA purified, truncated construct of Spleen Tyrosine Kinase (aa 360-635) (Homo sapiens (Human))	BDBM50007104 (CHEMBL3237572 | US10112928, Compound I-17) Show SMILES CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O |r| Show InChI InChI=1S/C20H31N7O/c1-12(2)9-13(11-21)23-17-10-14(18(19(22)28)27-26-17)24-16-8-6-7-15(25-16)20(3,4)5/h6-8,10,12-13H,9,11,21H2,1-5H3,(H2,22,28)(H2,23,24,25,26)/t13-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description SYK kinase assay is a standard kinase assay adapted to a 96 well plate format. This assay is performed in 96-well format for IC50 determination with ...				US Patent US10112928 (2018) BindingDB Entry DOI: 10.7270/Q2Z03B68
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50007104 (CHEMBL3237572 | US10112928, Compound I-17) Show SMILES CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O |r| Show InChI InChI=1S/C20H31N7O/c1-12(2)9-13(11-21)23-17-10-14(18(19(22)28)27-26-17)24-16-8-6-7-15(25-16)20(3,4)5/h6-8,10,12-13H,9,11,21H2,1-5H3,(H2,22,28)(H2,23,24,25,26)/t13-/m1/s1	PDB MMDB 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	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp method				J Med Chem 57: 2683-91 (2014) Article DOI: 10.1021/jm401982j BindingDB Entry DOI: 10.7270/Q2HT2QTR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50007104 (CHEMBL3237572 | US10112928, Compound I-17) Show SMILES CC(C)C[C@H](CN)Nc1cc(Nc2cccc(n2)C(C)(C)C)c(nn1)C(N)=O |r| Show InChI InChI=1S/C20H31N7O/c1-12(2)9-13(11-21)23-17-10-14(18(19(22)28)27-26-17)24-16-8-6-7-15(25-16)20(3,4)5/h6-8,10,12-13H,9,11,21H2,1-5H3,(H2,22,28)(H2,23,24,25,26)/t13-/m1/s1	PDB MMDB NCI pathway 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	501	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM...				J Med Chem 57: 2683-91 (2014) Article DOI: 10.1021/jm401982j BindingDB Entry DOI: 10.7270/Q2HT2QTR
					More data for this Ligand-Target Pair