BDBM50044638 CHEMBL3309299

SMILES: CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO

InChI Key: InChIKey=RIHKXPFNMAZMOA-ONWOKCAKSA-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 = 50044638   

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))	BDBM50044638 (CHEMBL3309299) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO |r,wU:17.18,20.25,(21.18,-34.58,;21.96,-35.93,;22.72,-34.58,;23.3,-36.7,;23.3,-38.24,;24.63,-39.01,;21.96,-39.01,;20.62,-38.24,;19.3,-39.01,;17.96,-38.24,;17.96,-36.7,;19.3,-35.93,;20.62,-36.7,;16.63,-35.93,;16.63,-34.39,;15.3,-36.7,;13.96,-35.93,;12.62,-36.7,;12.63,-38.24,;11.28,-39.01,;9.95,-38.24,;9.96,-36.69,;11.29,-35.93,;8.61,-39,;7.28,-38.22,;5.94,-38.99,;5.94,-40.53,;4.61,-38.21,;3.28,-38.97,)| Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15+	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50044638 (CHEMBL3309299) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO |r,wU:17.18,20.25,(21.18,-34.58,;21.96,-35.93,;22.72,-34.58,;23.3,-36.7,;23.3,-38.24,;24.63,-39.01,;21.96,-39.01,;20.62,-38.24,;19.3,-39.01,;17.96,-38.24,;17.96,-36.7,;19.3,-35.93,;20.62,-36.7,;16.63,-35.93,;16.63,-34.39,;15.3,-36.7,;13.96,-35.93,;12.62,-36.7,;12.63,-38.24,;11.28,-39.01,;9.95,-38.24,;9.96,-36.69,;11.29,-35.93,;8.61,-39,;7.28,-38.22,;5.94,-38.99,;5.94,-40.53,;4.61,-38.21,;3.28,-38.97,)| Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15+	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC2 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50044638 (CHEMBL3309299) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO |r,wU:17.18,20.25,(21.18,-34.58,;21.96,-35.93,;22.72,-34.58,;23.3,-36.7,;23.3,-38.24,;24.63,-39.01,;21.96,-39.01,;20.62,-38.24,;19.3,-39.01,;17.96,-38.24,;17.96,-36.7,;19.3,-35.93,;20.62,-36.7,;16.63,-35.93,;16.63,-34.39,;15.3,-36.7,;13.96,-35.93,;12.62,-36.7,;12.63,-38.24,;11.28,-39.01,;9.95,-38.24,;9.96,-36.69,;11.29,-35.93,;8.61,-39,;7.28,-38.22,;5.94,-38.99,;5.94,-40.53,;4.61,-38.21,;3.28,-38.97,)| Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15+	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	370	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC3 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50044638 (CHEMBL3309299) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO |r,wU:17.18,20.25,(21.18,-34.58,;21.96,-35.93,;22.72,-34.58,;23.3,-36.7,;23.3,-38.24,;24.63,-39.01,;21.96,-39.01,;20.62,-38.24,;19.3,-39.01,;17.96,-38.24,;17.96,-36.7,;19.3,-35.93,;20.62,-36.7,;16.63,-35.93,;16.63,-34.39,;15.3,-36.7,;13.96,-35.93,;12.62,-36.7,;12.63,-38.24,;11.28,-39.01,;9.95,-38.24,;9.96,-36.69,;11.29,-35.93,;8.61,-39,;7.28,-38.22,;5.94,-38.99,;5.94,-40.53,;4.61,-38.21,;3.28,-38.97,)| Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15+	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	720	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC6 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50044638 (CHEMBL3309299) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO |r,wU:17.18,20.25,(21.18,-34.58,;21.96,-35.93,;22.72,-34.58,;23.3,-36.7,;23.3,-38.24,;24.63,-39.01,;21.96,-39.01,;20.62,-38.24,;19.3,-39.01,;17.96,-38.24,;17.96,-36.7,;19.3,-35.93,;20.62,-36.7,;16.63,-35.93,;16.63,-34.39,;15.3,-36.7,;13.96,-35.93,;12.62,-36.7,;12.63,-38.24,;11.28,-39.01,;9.95,-38.24,;9.96,-36.69,;11.29,-35.93,;8.61,-39,;7.28,-38.22,;5.94,-38.99,;5.94,-40.53,;4.61,-38.21,;3.28,-38.97,)| Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC4 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50044638 (CHEMBL3309299) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO |r,wU:17.18,20.25,(21.18,-34.58,;21.96,-35.93,;22.72,-34.58,;23.3,-36.7,;23.3,-38.24,;24.63,-39.01,;21.96,-39.01,;20.62,-38.24,;19.3,-39.01,;17.96,-38.24,;17.96,-36.7,;19.3,-35.93,;20.62,-36.7,;16.63,-35.93,;16.63,-34.39,;15.3,-36.7,;13.96,-35.93,;12.62,-36.7,;12.63,-38.24,;11.28,-39.01,;9.95,-38.24,;9.96,-36.69,;11.29,-35.93,;8.61,-39,;7.28,-38.22,;5.94,-38.99,;5.94,-40.53,;4.61,-38.21,;3.28,-38.97,)| Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50044638 (CHEMBL3309299) Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO |r,wU:17.18,20.25,(21.18,-34.58,;21.96,-35.93,;22.72,-34.58,;23.3,-36.7,;23.3,-38.24,;24.63,-39.01,;21.96,-39.01,;20.62,-38.24,;19.3,-39.01,;17.96,-38.24,;17.96,-36.7,;19.3,-35.93,;20.62,-36.7,;16.63,-35.93,;16.63,-34.39,;15.3,-36.7,;13.96,-35.93,;12.62,-36.7,;12.63,-38.24,;11.28,-39.01,;9.95,-38.24,;9.96,-36.69,;11.29,-35.93,;8.61,-39,;7.28,-38.22,;5.94,-38.99,;5.94,-40.53,;4.61,-38.21,;3.28,-38.97,)| Show InChI InChI=1S/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15+	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC8 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair