BDBM50494027 CHEMBL2443205

SMILES: Cc1cc(C)nc(SCC(=O)c2cccc(c2)S(N)(=O)=O)n1

InChI Key: InChIKey=IJMXBTRCOPBDDX-UHFFFAOYSA-N

Data: 6 Kd

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 = 50494027   

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 anhydrase (Homo sapiens (Human))	BDBM50494027 (CHEMBL2443205) Show SMILES Cc1cc(C)nc(SCC(=O)c2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-6-10(2)17-14(16-9)21-8-13(18)11-4-3-5-12(7-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50494027 (CHEMBL2443205) Show SMILES Cc1cc(C)nc(SCC(=O)c2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-6-10(2)17-14(16-9)21-8-13(18)11-4-3-5-12(7-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 12 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50494027 (CHEMBL2443205) Show SMILES Cc1cc(C)nc(SCC(=O)c2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-6-10(2)17-14(16-9)21-8-13(18)11-4-3-5-12(7-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50494027 (CHEMBL2443205) Show SMILES Cc1cc(C)nc(SCC(=O)c2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-6-10(2)17-14(16-9)21-8-13(18)11-4-3-5-12(7-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 6 expressed in Escherichia coli Rosetta2 (DE3) by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50494027 (CHEMBL2443205) Show SMILES Cc1cc(C)nc(SCC(=O)c2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-6-10(2)17-14(16-9)21-8-13(18)11-4-3-5-12(7-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50494027 (CHEMBL2443205) Show SMILES Cc1cc(C)nc(SCC(=O)c2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H15N3O3S2/c1-9-6-10(2)17-14(16-9)21-8-13(18)11-4-3-5-12(7-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.67E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair