BDBM50151399 CHEMBL3775380

SMILES: COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O

InChI Key: InChIKey=HHHINYOXTBYXCI-UHFFFAOYSA-N

Data: 1 KI  14 IC50

PDB links: 1 PDB ID matches this monomer.

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 15 hits for monomerid = 50151399   

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 4C (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	683	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using A...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 5...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 2...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 5...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using ARTKQTARK(Me3...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH) (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQG...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5A (1 to 797 residues) (unknown origin) expressed in insect sf21 cells using ARTK(Me3)QTARKSTGGKAPRK peptide/ 100 uM alpha-ketogluta...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated ...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A) (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM2A (unknown origin) expressed in Escherichia coli using Biotin H3 (28 to 48 residues) Me2 KDM2A Cognate Ligande/10 uM alpha-ketoglut...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM6B (unknown origin) expressed in Escherichia coli using H3 (21 to 44 residues) K27Me3-GGK-Biotin JMJD3 Cognate Ligand/10 uM alpha-ke...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM5B (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K4Me3-GGK-Biotin KDM5B Cognate Ligand/10 uM alpha-keto...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 3A (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-keto...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketog...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated ...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50151399 (CHEMBL3775380) Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated ...				J Med Chem 59: 1580-98 (2016) BindingDB Entry DOI: 10.7270/Q2P84DRX
					More data for this Ligand-Target Pair