BDBM107722 CHEMBL2347114::US8933095, 5

SMILES: N[C@H]1Cc2c(N(O)C1=O)c(nn2Cc1ccccc1)C(F)(F)F

InChI Key: InChIKey=FCZFCNYOTZFYPU-VIFPVBQESA-N

Data: 1 KI  3 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 4 hits for monomerid = 107722   

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
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107722 (CHEMBL2347114 | US8933095, 5) Show SMILES N[C@H]1Cc2c(N(O)C1=O)c(nn2Cc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N4O2/c15-14(16,17)12-11-10(6-9(18)13(22)21(11)23)20(19-12)7-8-4-2-1-3-5-8/h1-5,9,23H,6-7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis				Bioorg Med Chem Lett 23: 1961-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.039 BindingDB Entry DOI: 10.7270/Q2N87C48
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107722 (CHEMBL2347114 | US8933095, 5) Show SMILES N[C@H]1Cc2c(N(O)C1=O)c(nn2Cc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N4O2/c15-14(16,17)12-11-10(6-9(18)13(22)21(11)23)20(19-12)7-8-4-2-1-3-5-8/h1-5,9,23H,6-7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis				Bioorg Med Chem Lett 23: 1961-6 (2013) Article DOI: 10.1016/j.bmcl.2013.02.039 BindingDB Entry DOI: 10.7270/Q2N87C48
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107722 (CHEMBL2347114 | US8933095, 5) Show SMILES N[C@H]1Cc2c(N(O)C1=O)c(nn2Cc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N4O2/c15-14(16,17)12-11-10(6-9(18)13(22)21(11)23)20(19-12)7-8-4-2-1-3-5-8/h1-5,9,23H,6-7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43.7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...				US Patent US8598200 (2013) BindingDB Entry DOI: 10.7270/Q2G73CBJ
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107722 (CHEMBL2347114 | US8933095, 5) Show SMILES N[C@H]1Cc2c(N(O)C1=O)c(nn2Cc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N4O2/c15-14(16,17)12-11-10(6-9(18)13(22)21(11)23)20(19-12)7-8-4-2-1-3-5-8/h1-5,9,23H,6-7,18H2/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42.7	n/a	n/a	n/a	n/a	n/a	37
Pfizer Inc. US Patent					Assay Description Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...				US Patent US8933095 (2015) BindingDB Entry DOI: 10.7270/Q2J9653C
					More data for this Ligand-Target Pair