BDBM50199122 CHEMBL3926959

SMILES: CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1

InChI Key: InChIKey=RPYILBLFWKTSJT-ONNFQVAWSA-N

Data: 5 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 5 hits for monomerid = 50199122   

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 1 (Homo sapiens (Human))	BDBM50199122 (CHEMBL3926959) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50199122 (CHEMBL3926959) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50199122 (CHEMBL3926959) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50199122 (CHEMBL3926959) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50199122 (CHEMBL3926959) Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+	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	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation				Bioorg Med Chem Lett 26: 5222-5228 (2016) Article DOI: 10.1016/j.bmcl.2016.09.058 BindingDB Entry DOI: 10.7270/Q29W0HFD
					More data for this Ligand-Target Pair