BDBM228800 NOEV::Sapienic acid (SpA)

SMILES: CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=UPZUHYMBTUUPML-XGUBFFRZSA-N

Data: 6 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 6 hits for monomerid = 228800   

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 5 (FABP5)(DSm) (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	-8.53	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
beta-Galactosidase (β-Gal)(R201C) (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	940	-8.55	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair
beta-Galactosidase (β-Gal) (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	-8.45	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	-8.26	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
beta-Galactosidase (β-Gal)(I51T) (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	-8.40	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(NLSm) (Homo sapiens (Human))	BDBM228800 (NOEV | Sapienic acid (SpA)) Show SMILES CCCCCCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14-,15-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.24E+3	-8.19	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University School of Medicine					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair