BDBM50527619 CHEMBL4451623

SMILES: CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=HQLYDYYQRFGZDZ-FQEVSTJZSA-N

Data: 14 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 14 hits for monomerid = 50527619   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His-tagged HDAC3 (1 to 428 residues) expressed in baculovirus infected insect cells using fluo...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 4 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged and C-terminal His-tagged HDAC4 expressed in baculovirus infected insect cells using fluorogeni...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-fusion tagged HDAC5 (657 to 1123 residues) expressed in baculovirus infected insect cells using fluoro...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in baculovirus infected insect cells using fluorogenic HD...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Streptavidin2-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells using fluor...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluoresc...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex u...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC9 (unknown origin) using fluorogenic HDAC class 2a as substrate measured after 1 to 2 hrs by fluorescence assay				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in baculovirus infected Sf21 insect cells ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His-fusion tagged and N-terminal Streptavidin2-tagged human HDAC8 (1 to 377 residues) expressed in insect cells ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50527619 (CHEMBL4451623) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H30N8O3/c1-2-20(33-26-24-25(30-16-29-24)31-17-32-26)27-34-21-14-9-11-18(10-5-3-8-15-22(37)35-39)23(21)28(38)36(27)19-12-6-4-7-13-19/h4,6-7,9,11-14,16-17,20,39H,2-3,5,8,10,15H2,1H3,(H,35,37)(H2,29,30,31,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair