BDBM50129081 CHEBI:33070::INDOLE-3-BUTYRIC ACID::Indole-3-Butyric Acid

SMILES: OC(=O)CCCc1c[nH]c2ccccc12

InChI Key: InChIKey=JTEDVYBZBROSJT-UHFFFAOYSA-N

Data: 4 IC50  4 Kd

PDB links: 3 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 8 hits for monomerid = 50129081   

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
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50129081 (CHEBI:33070 | INDOLE-3-BUTYRIC ACID | Indole-3-But...) Show SMILES OC(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	7.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...				J Med Chem 58: 8671-82 (2015) BindingDB Entry DOI: 10.7270/Q2959KCH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50129081 (CHEBI:33070 | INDOLE-3-BUTYRIC ACID | Indole-3-But...) Show SMILES OC(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	2.74E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 secs by SPR ...				J Med Chem 58: 8671-82 (2015) BindingDB Entry DOI: 10.7270/Q2959KCH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50129081 (CHEBI:33070 | INDOLE-3-BUTYRIC ACID | Indole-3-But...) Show SMILES OC(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.95E+6	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM50129081 (CHEBI:33070 | INDOLE-3-BUTYRIC ACID | Indole-3-But...) Show SMILES OC(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition				J Med Chem 59: 5542-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00660 BindingDB Entry DOI: 10.7270/Q2NP26CK
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50129081 (CHEBI:33070 | INDOLE-3-BUTYRIC ACID | Indole-3-But...) Show SMILES OC(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	7.94E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50129081 (CHEBI:33070 | INDOLE-3-BUTYRIC ACID | Indole-3-But...) Show SMILES OC(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.95E+6	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM50129081 (CHEBI:33070 | INDOLE-3-BUTYRIC ACID | Indole-3-But...) Show SMILES OC(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli as...				J Med Chem 59: 5542-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00660 BindingDB Entry DOI: 10.7270/Q2NP26CK
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50129081 (CHEBI:33070 | INDOLE-3-BUTYRIC ACID | Indole-3-But...) Show SMILES OC(=O)CCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	8.06E+5	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay				Bioorg Med Chem Lett 26: 1973-7 (2016) BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair