BDBM281088 US10022354, Example 28

SMILES: CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1

InChI Key: InChIKey=CXEXTVGTDZRKJS-NSHDSACASA-N

Data: 5 IC50  1 Kd

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 6 hits for monomerid = 281088   

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
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281088 (US10022354, Example 28) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.0	25
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS INC. US Patent					Assay Description Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...				US Patent US10022354 (2018) BindingDB Entry DOI: 10.7270/Q2PC34F7
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281088 (US10022354, Example 28) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by...				J Med Chem 61: 3193-3208 (2018) Article DOI: 10.1021/acs.jmedchem.8b00261 BindingDB Entry DOI: 10.7270/Q2BC41Z0
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281088 (US10022354, Example 28) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of ARID/PHD1 domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli using H3K4me3 as su...				J Med Chem 61: 3193-3208 (2018) Article DOI: 10.1021/acs.jmedchem.8b00261 BindingDB Entry DOI: 10.7270/Q2BC41Z0
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281088 (US10022354, Example 28) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of ARID/PHD1 domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli using H3K4me3 as su...				J Med Chem 61: 3193-3208 (2018) Article DOI: 10.1021/acs.jmedchem.8b00261 BindingDB Entry DOI: 10.7270/Q2BC41Z0
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281088 (US10022354, Example 28) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotinylated H3K4...				J Med Chem 61: 3193-3208 (2018) Article DOI: 10.1021/acs.jmedchem.8b00261 BindingDB Entry DOI: 10.7270/Q2BC41Z0
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM281088 (US10022354, Example 28) Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas MD Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat cortex.				J Med Chem 61: 3193-3208 (2018) Article DOI: 10.1021/acs.jmedchem.8b00261 BindingDB Entry DOI: 10.7270/Q2BC41Z0
					More data for this Ligand-Target Pair