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SMILES: Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1

InChI Key: InChIKey=CDXSMURPKCCXKD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 465378   

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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020)
					More data for this Ligand-Target Pair