BDBM50339588 (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID::2-(3-chloro-4-hydroxyphenyl)acetic acid::3-chloro-4-hydroxyphenylacetic acid::CHEMBL592010

SMILES: OC(=O)Cc1ccc(O)c(Cl)c1

InChI Key: InChIKey=IYTUKSIOQKTZEG-UHFFFAOYSA-N

Data: 6 KI

PDB links: 5 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 6 hits for monomerid = 50339588   

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
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM50339588 ((3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | 2-(3-chlor...) Show SMILES OC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic Anhydrase 2 (Can2) (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50339588 ((3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | 2-(3-chlor...) Show SMILES OC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50339588 ((3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | 2-(3-chlor...) Show SMILES OC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis)	BDBM50339588 ((3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | 2-(3-chlor...) Show SMILES OC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (Mycobacterium tuberculosis)	BDBM50339588 ((3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | 2-(3-chlor...) Show SMILES OC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50339588 ((3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | 2-(3-chlor...) Show SMILES OC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.65E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair