BDBM112244 US8623889, 242

SMILES: C[C@@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1

InChI Key: InChIKey=GUWOFQJDSDHCOO-CYBMUJFWSA-N

Data: 2 KI

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 2 hits for monomerid = 112244   

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 ABL1 (Homo sapiens (Human))	BDBM112244 (US8623889, 242) Show SMILES C[C@@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r| Show InChI InChI=1S/C21H21N3O2/c1-12-7-19(13(2)25)22-11-18(12)16-6-5-15-9-20(23-10-17(15)8-16)24-21(26)14-3-4-14/h5-11,13-14,25H,3-4H2,1-2H3,(H,23,24,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...				US Patent US8623889 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM112244 (US8623889, 242) Show SMILES C[C@@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1 |r| Show InChI InChI=1S/C21H21N3O2/c1-12-7-19(13(2)25)22-11-18(12)16-6-5-15-9-20(23-10-17(15)8-16)24-21(26)14-3-4-14/h5-11,13-14,25H,3-4H2,1-2H3,(H,23,24,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...				US Patent US8623889 (2014) BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
					More data for this Ligand-Target Pair