BDBM50458606 CHEMBL4205511

SMILES: CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O

InChI Key: InChIKey=ASLSDJNSUCRUHC-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50458606   

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
Group X secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458606 (CHEMBL4205511) Show SMILES CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(18(27)28)7-12-3-2-4-16(24-12)25-14-9-13(29-19(20,21)22)6-5-11(14)8-15(25)17(23)26/h2-6,8-10H,7H2,1H3,(H2,23,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Secretory phospholipase A2, group V (sPLA2-V) (Homo sapiens (Human))	BDBM50458606 (CHEMBL4205511) Show SMILES CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(18(27)28)7-12-3-2-4-16(24-12)25-14-9-13(29-19(20,21)22)6-5-11(14)8-15(25)17(23)26/h2-6,8-10H,7H2,1H3,(H2,23,26)(H,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-5 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substra...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Group X secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458606 (CHEMBL4205511) Show SMILES CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(18(27)28)7-12-3-2-4-16(24-12)25-14-9-13(29-19(20,21)22)6-5-11(14)8-15(25)17(23)26/h2-6,8-10H,7H2,1H3,(H2,23,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Phospholipase A2 group IIA (Homo sapiens (Human))	BDBM50458606 (CHEMBL4205511) Show SMILES CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(18(27)28)7-12-3-2-4-16(24-12)25-14-9-13(29-19(20,21)22)6-5-11(14)8-15(25)17(23)26/h2-6,8-10H,7H2,1H3,(H2,23,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-2A (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Secretory phospholipase A2, group V (sPLA2-V) (Homo sapiens (Human))	BDBM50458606 (CHEMBL4205511) Show SMILES CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(18(27)28)7-12-3-2-4-16(24-12)25-14-9-13(29-19(20,21)22)6-5-11(14)8-15(25)17(23)26/h2-6,8-10H,7H2,1H3,(H2,23,26)(H,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-5 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substra...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Group X secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458606 (CHEMBL4205511) Show SMILES CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(18(27)28)7-12-3-2-4-16(24-12)25-14-9-13(29-19(20,21)22)6-5-11(14)8-15(25)17(23)26/h2-6,8-10H,7H2,1H3,(H2,23,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human sPLA2-10 using human HDL as substrate pretreated for 20 mins followed by substrate addition and measured after 60 min...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair
Phospholipase A2 group IIA (Homo sapiens (Human))	BDBM50458606 (CHEMBL4205511) Show SMILES CC(Cc1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O)C(O)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(18(27)28)7-12-3-2-4-16(24-12)25-14-9-13(29-19(20,21)22)6-5-11(14)8-15(25)17(23)26/h2-6,8-10H,7H2,1H3,(H2,23,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-2A (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair