BindingDB PrimarySearch

BDBM50390681 CHEMBL2070207

SMILES: CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12

InChI Key: InChIKey=HAMGTRPEYUYOQJ-UHFFFAOYSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50390681
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 (Homo sapiens (Human))	BDBM50390681 (CHEMBL2070207) Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length carbonic anhydrase 1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-...				ACS Med Chem Lett 8: 941-946 (2017) Article DOI: 10.1021/acsmedchemlett.7b00229 BindingDB Entry DOI: 10.7270/Q2ZK5K8P
University of Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50390681 (CHEMBL2070207) Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique				Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50390681 (CHEMBL2070207) Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by pheno...				ACS Med Chem Lett 8: 941-946 (2017) Article DOI: 10.1021/acsmedchemlett.7b00229 BindingDB Entry DOI: 10.7270/Q2ZK5K8P
University of Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50390681 (CHEMBL2070207) Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique				Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50390681 (CHEMBL2070207) Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol...				ACS Med Chem Lett 8: 941-946 (2017) Article DOI: 10.1021/acsmedchemlett.7b00229 BindingDB Entry DOI: 10.7270/Q2ZK5K8P
University of Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50390681 (CHEMBL2070207) Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique				Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50390681 (CHEMBL2070207) Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique				Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50390681 (CHEMBL2070207) Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-...				ACS Med Chem Lett 8: 941-946 (2017) Article DOI: 10.1021/acsmedchemlett.7b00229 BindingDB Entry DOI: 10.7270/Q2ZK5K8P
University of Sassari Curated by ChEMBL					More data for this Ligand-Target Pair