BDBM50468459 CHEMBL4293131

SMILES: OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1

InChI Key: InChIKey=MOGDSIWEUDLNRF-MLCQCVOFSA-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 = 50468459   

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)	BDBM50468459 (CHEMBL4293131) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |r,wU:4.25,5.14,wD:3.2,6.7,(13.01,-19.81,;11.53,-19.41,;11.13,-17.93,;10.44,-20.5,;8.9,-20.5,;8.9,-22.04,;10.44,-22.04,;11.53,-23.13,;11.12,-24.62,;12.21,-25.71,;13.7,-25.31,;14.09,-23.81,;13,-22.73,;7.81,-23.13,;6.32,-22.73,;8.21,-24.62,;7.12,-25.71,;5.63,-25.31,;5.24,-23.82,;3.75,-23.42,;2.66,-24.51,;3.07,-26,;4.55,-26.39,;7.81,-19.41,;8.21,-17.93,;7.12,-16.84,;5.63,-17.24,;5.24,-18.74,;6.33,-19.82,)| Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/t20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	530	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))	BDBM50468459 (CHEMBL4293131) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |r,wU:4.25,5.14,wD:3.2,6.7,(13.01,-19.81,;11.53,-19.41,;11.13,-17.93,;10.44,-20.5,;8.9,-20.5,;8.9,-22.04,;10.44,-22.04,;11.53,-23.13,;11.12,-24.62,;12.21,-25.71,;13.7,-25.31,;14.09,-23.81,;13,-22.73,;7.81,-23.13,;6.32,-22.73,;8.21,-24.62,;7.12,-25.71,;5.63,-25.31,;5.24,-23.82,;3.75,-23.42,;2.66,-24.51,;3.07,-26,;4.55,-26.39,;7.81,-19.41,;8.21,-17.93,;7.12,-16.84,;5.63,-17.24,;5.24,-18.74,;6.33,-19.82,)| Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/t20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.81E+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 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))	BDBM50468459 (CHEMBL4293131) Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |r,wU:4.25,5.14,wD:3.2,6.7,(13.01,-19.81,;11.53,-19.41,;11.13,-17.93,;10.44,-20.5,;8.9,-20.5,;8.9,-22.04,;10.44,-22.04,;11.53,-23.13,;11.12,-24.62,;12.21,-25.71,;13.7,-25.31,;14.09,-23.81,;13,-22.73,;7.81,-23.13,;6.32,-22.73,;8.21,-24.62,;7.12,-25.71,;5.63,-25.31,;5.24,-23.82,;3.75,-23.42,;2.66,-24.51,;3.07,-26,;4.55,-26.39,;7.81,-19.41,;8.21,-17.93,;7.12,-16.84,;5.63,-17.24,;5.24,-18.74,;6.33,-19.82,)| Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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