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Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 282.4
BDBM50250904

Wt: 281.4
BDBM50448438

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50250904 (CHEMBL460657 \| Elaidinsaeure \| elaidic acid \| tran...) Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human trypsin and the control activity being 7.3 umol/min/mg				Citation and Details
TBA					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50250904 (CHEMBL460657 \| Elaidinsaeure \| elaidic acid \| tran...) Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Puerto Rico Curated by ChEMBL					Assay Description Inhibition of DNA topoisomerase 1 (unknown origin)				J Nat Prod 65: 1715-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7HFB
University of Puerto Rico Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448438 (CHEMBL3122153) Show SMILES CCCCCCCC\C=C\CCCCCCCC([O-])=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.59E+5	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
Osaka University Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50250904 (CHEMBL460657 \| Elaidinsaeure \| elaidic acid \| tran...) Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against Adipocyte lipid binding protein				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
University of Parma Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50448438 (CHEMBL3122153) Show SMILES CCCCCCCC\C=C\CCCCCCCC([O-])=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 10 uM in DMPC liposomes by surface plasmon resonance analysis				Bioorg Med Chem 22: 1804-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.001 BindingDB Entry DOI: 10.7270/Q2SJ1N49
Osaka University Curated by ChEMBL					More data for this Ligand-Target Pair