BDBM153300 DAUDA

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCCCC(O)=O

InChI Key: InChIKey=CEPGVMDMVJGHFQ-UHFFFAOYSA-N

Data: 1 KI  1 Kd  1 ITC

PDB links: 4 PDB IDs match this monomer.

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 2 hits for monomerid = 153300   

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
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human))	BDBM153300 (DAUDA) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCCCC(O)=O Show InChI InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	300	-16.9	n/a	n/a	n/a	n/a	n/a	n/a	293.15
Monash University					Assay Description Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following...				ACS Chem Biol 9: 2526-34 (2014) Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human))	BDBM153300 (DAUDA) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCCCC(O)=O Show InChI InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	8.0	37
Monash University					Assay Description ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 μL) at 37 C with stirring at 1000...				ACS Chem Biol 9: 2526-34 (2014) Article DOI: 10.1021/cb5005178 BindingDB Entry DOI: 10.7270/Q2348J4C
					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 153300

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human))	BDBM153300 (DAUDA)	GoogleScholar PDB	PC cid PC sid PDB		-9.15	2.38	-11.5	6.45	8	37
Monash University					ACS Chem Biol 9: 2526-34 (2014)