BDBM50347385 CHEMBL1801250

SMILES: ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1

InChI Key: InChIKey=QRGHOAATPOLDPF-VQFNDLOPSA-N

Data: 8 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 8 hits for monomerid = 50347385   

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 5 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50347385 (CHEMBL1801250) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chroma Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 53: 8663-78 (2010) Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P
					More data for this Ligand-Target Pair