BDBM50347384 CHEMBL1801238

SMILES: ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1

InChI Key: InChIKey=AQIOMPMNFDEIJO-FICVDOATSA-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 = 50347384   

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))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+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))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50347384 (CHEMBL1801238) Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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