BDBM445959 US10669246, Example 11::US10968188, Example 11

SMILES: Cc1ccnc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1

InChI Key: InChIKey=DQYQBMXKLGHNLA-MNOVXSKESA-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 = 445959   

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))	BDBM445959 (US10669246, Example 11 | US10968188, Example 11) Show SMILES Cc1ccnc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H13ClFN3OS/c1-8-4-5-20-15(18)14(8)9-2-3-12-13(6-9)24-17(21-12)22-16(23)10-7-11(10)19/h2-6,10-11H,7H2,1H3,(H,21,22,23)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
1ST Biotherapeutics, Inc. US Patent					Assay Description ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(β-aminoethyl ether)-N,...				US Patent US10669246 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445959 (US10669246, Example 11 | US10968188, Example 11) Show SMILES Cc1ccnc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H13ClFN3OS/c1-8-4-5-20-15(18)14(8)9-2-3-12-13(6-9)24-17(21-12)22-16(23)10-7-11(10)19/h2-6,10-11H,7H2,1H3,(H,21,22,23)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445959 (US10669246, Example 11 | US10968188, Example 11) Show SMILES Cc1ccnc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H13ClFN3OS/c1-8-4-5-20-15(18)14(8)9-2-3-12-13(6-9)24-17(21-12)22-16(23)10-7-11(10)19/h2-6,10-11H,7H2,1H3,(H,21,22,23)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445959 (US10669246, Example 11 | US10968188, Example 11) Show SMILES Cc1ccnc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H13ClFN3OS/c1-8-4-5-20-15(18)14(8)9-2-3-12-13(6-9)24-17(21-12)22-16(23)10-7-11(10)19/h2-6,10-11H,7H2,1H3,(H,21,22,23)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
1ST Biotherapeutics, Inc. US Patent					Assay Description ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(β-aminoethyl ether)-N,...				US Patent US10669246 (2020)
					More data for this Ligand-Target Pair