BDBM50503792 CHEMBL4593434

SMILES: NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=UCLAABICIDKCQY-UHFFFAOYSA-N

Data: 22 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 22 hits for monomerid = 50503792   

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))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...				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 V (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	11	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 C-terminal His6x-tagged human CA5A expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissocia...				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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	0.160	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	0.110	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	0.980	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.40	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...				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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	0.400	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 V (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.70E+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 V (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+4	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 C-terminal His6x-tagged human CA5A expressed in Escherichia coli BL21(DE3) by DSF-based fluorescence ther...				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 V (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+4	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 2 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	500	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	2.20E+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 2 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	0.140	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	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 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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	630	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	670	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	2	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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	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	4.00E+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 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 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.570	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