BDBM50527607 CHEMBL4443548

SMILES: CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=NNCNCNUUHFTRQN-FQEVSTJZSA-N

Data: 12 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 12 hits for monomerid = 50527607   

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 3 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	1.10E+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 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	26	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
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	6.07E+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 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
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/t20-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	439	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	9	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))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	204	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
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	1.00E+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 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
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	2.26E+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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	392	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	135	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
Cereblon/Histone deacetylase 4 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	381	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 7 (Homo sapiens (Human))	BDBM50527607 (CHEMBL4443548) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(cn3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H26N10O3/c1-2-20(36-26-24-25(33-15-32-24)34-16-35-26)27-37-22-10-6-9-21(23(22)29(41)39(27)19-7-4-3-5-8-19)31-14-18-12-11-17(13-30-18)28(40)38-42/h3-13,15-16,20,31,42H,2,14H2,1H3,(H,38,40)(H2,32,33,34,35,36)/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	104	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