BindingDB PrimarySearch

BDBM50143903 CHEMBL3125555

SMILES: OC(=O)CN1C(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=MQAZHTHFEBUHCD-UHFFFAOYSA-N

Data: 8 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50143903
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
University of Chieti-Pescara Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 1821-31 (2014) BindingDB Entry DOI: 10.7270/Q2NC646X
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
University of Chieti-Pescara Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 1821-31 (2014) BindingDB Entry DOI: 10.7270/Q2NC646X
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 1821-31 (2014) BindingDB Entry DOI: 10.7270/Q2NC646X
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 1821-31 (2014) BindingDB Entry DOI: 10.7270/Q2NC646X
Sapienza University of Rome Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
University of Chieti-Pescara Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143903 (CHEMBL3125555) Show SMILES OC(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
University of Chieti-Pescara Curated by ChEMBL					More data for this Ligand-Target Pair