BDBM50248314 CHEMBL474746::N-hydroxy-3-(1-(3-hydroxypropyl)-2-(2-phenylpropyl)-1H-benzo[d]imidazol-5-yl)acrylamide::US10201527, Compound 1::US10736881, Compound 1::US8551988, 1

SMILES: CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1

InChI Key: InChIKey=IDJHTRCRTCGYIP-PKNBQFBNSA-N

Data: 7 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 7 hits for monomerid = 50248314   

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 8 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 by fluorimetric assay				Bioorg Med Chem Lett 19: 1403-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.041 BindingDB Entry DOI: 10.7270/Q2FT8KX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent									US Patent US10736881 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5×105 cells/well for 24 h. Colo20...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10736881 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248314 (CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1 Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair