BDBM446035 US10669246, Example 86::US10968188, Example 86

SMILES: F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1Cl

InChI Key: InChIKey=NQCQCGGOVSEMRM-SKDRFNHKSA-N

Data: 2 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 2 hits for monomerid = 446035   

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))	BDBM446035 (US10669246, Example 86 | US10968188, Example 86) Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1Cl |r| Show InChI InChI=1S/C16H11ClFN3OS/c17-11-3-4-19-7-10(11)8-1-2-13-14(5-8)23-16(20-13)21-15(22)9-6-12(9)18/h1-5,7,9,12H,6H2,(H,20,21,22)/t9-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	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))	BDBM446035 (US10669246, Example 86 | US10968188, Example 86) Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1Cl |r| Show InChI InChI=1S/C16H11ClFN3OS/c17-11-3-4-19-7-10(11)8-1-2-13-14(5-8)23-16(20-13)21-15(22)9-6-12(9)18/h1-5,7,9,12H,6H2,(H,20,21,22)/t9-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	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