null

SMILES: Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O

InChI Key: InChIKey=QAFGXLLHNLFWJB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50503809   

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 9 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA9 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	0.530	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA12 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	0.210	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA7 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	318	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 in pH 7 sodium phosphate buffer at 37 degC by isothermal titration calorimetry				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	0.0660	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	0.280	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0410	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	8.30E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA12 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	6.00E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) by DSF-based fluorescenc...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	3.30E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA7 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	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	910	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0930	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA9 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50503809 (CHEMBL4567916) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-10-5-15(6-11(2)17(10)27(19,25)26)21-9-14(8-16(21)23)18(24)22-13(4)7-12(3)20-22/h5-7,14H,8-9H2,1-4H3,(H2,19,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair