BDBM50341404 CHEMBL4169089

SMILES: CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1

InChI Key: InChIKey=APKGRKWJHXMFDQ-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50341404   

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
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50341404 (CHEMBL4169089) Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50341404 (CHEMBL4169089) Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50341404 (CHEMBL4169089) Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50341404 (CHEMBL4169089) Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair