BDBM50468476 CHEMBL4292332

SMILES: OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC(F)(F)F)c1ccccc1

InChI Key: InChIKey=LSOJRKBCGMIWKK-QAETUUGQSA-N

Data: 3 KI

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 3 hits for monomerid = 50468476   

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
Fatty acid-binding protein, brain (Homo sapiens)	BDBM50468476 (CHEMBL4292332) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC(F)(F)F)c1ccccc1 |r,wU:4.22,5.14,wD:3.2,6.7,(66.18,-48.02,;64.69,-47.62,;64.3,-46.14,;63.61,-48.71,;62.07,-48.71,;62.07,-50.25,;63.61,-50.25,;64.69,-51.34,;64.29,-52.83,;65.38,-53.92,;66.87,-53.52,;67.26,-52.02,;66.17,-50.94,;60.98,-51.34,;59.49,-50.94,;61.38,-52.83,;60.29,-53.92,;58.8,-53.52,;57.71,-54.61,;58.4,-52.03,;57.3,-53.11,;60.98,-47.62,;61.38,-46.14,;60.29,-45.05,;58.8,-45.45,;58.41,-46.95,;59.5,-48.03,)| Show InChI InChI=1S/C20H17F3O4/c21-20(22,23)11-27-19(26)17-14(12-7-3-1-4-8-12)16(18(24)25)15(17)13-9-5-2-6-10-13/h1-10,14-17H,11H2,(H,24,25)/t14-,15-,16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Displacement of ANS from recombinant human N-terminal His-tagged FABP7 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay				Eur J Med Chem 154: 233-252 (2018) Article DOI: 10.1016/j.ejmech.2018.04.050 BindingDB Entry DOI: 10.7270/Q2ZK5KC1
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM50468476 (CHEMBL4292332) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC(F)(F)F)c1ccccc1 |r,wU:4.22,5.14,wD:3.2,6.7,(66.18,-48.02,;64.69,-47.62,;64.3,-46.14,;63.61,-48.71,;62.07,-48.71,;62.07,-50.25,;63.61,-50.25,;64.69,-51.34,;64.29,-52.83,;65.38,-53.92,;66.87,-53.52,;67.26,-52.02,;66.17,-50.94,;60.98,-51.34,;59.49,-50.94,;61.38,-52.83,;60.29,-53.92,;58.8,-53.52,;57.71,-54.61,;58.4,-52.03,;57.3,-53.11,;60.98,-47.62,;61.38,-46.14,;60.29,-45.05,;58.8,-45.45,;58.41,-46.95,;59.5,-48.03,)| Show InChI InChI=1S/C20H17F3O4/c21-20(22,23)11-27-19(26)17-14(12-7-3-1-4-8-12)16(18(24)25)15(17)13-9-5-2-6-10-13/h1-10,14-17H,11H2,(H,24,25)/t14-,15-,16-,17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Displacement of DAUDA from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay				Eur J Med Chem 154: 233-252 (2018) Article DOI: 10.1016/j.ejmech.2018.04.050 BindingDB Entry DOI: 10.7270/Q2ZK5KC1
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50468476 (CHEMBL4292332) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC(F)(F)F)c1ccccc1 |r,wU:4.22,5.14,wD:3.2,6.7,(66.18,-48.02,;64.69,-47.62,;64.3,-46.14,;63.61,-48.71,;62.07,-48.71,;62.07,-50.25,;63.61,-50.25,;64.69,-51.34,;64.29,-52.83,;65.38,-53.92,;66.87,-53.52,;67.26,-52.02,;66.17,-50.94,;60.98,-51.34,;59.49,-50.94,;61.38,-52.83,;60.29,-53.92,;58.8,-53.52,;57.71,-54.61,;58.4,-52.03,;57.3,-53.11,;60.98,-47.62,;61.38,-46.14,;60.29,-45.05,;58.8,-45.45,;58.41,-46.95,;59.5,-48.03,)| Show InChI InChI=1S/C20H17F3O4/c21-20(22,23)11-27-19(26)17-14(12-7-3-1-4-8-12)16(18(24)25)15(17)13-9-5-2-6-10-13/h1-10,14-17H,11H2,(H,24,25)/t14-,15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Displacement of DAUDA from recombinant human N-terminal His-tagged FABP3 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay				Eur J Med Chem 154: 233-252 (2018) Article DOI: 10.1016/j.ejmech.2018.04.050 BindingDB Entry DOI: 10.7270/Q2ZK5KC1
					More data for this Ligand-Target Pair