BDBM50503799 CHEMBL4474833

SMILES: Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1

InChI Key: InChIKey=NEEUKYCSJKNGPX-SSDVNMTOSA-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 = 50503799   

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))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	1.80	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	0.0930	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 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.30	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))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	0.340	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))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	0.230	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human 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))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	Reactome pathway KEGG UniProtKB/SwissProt 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 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 V (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0590	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))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.370	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
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	2.90E+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 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))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	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 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 2 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	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 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))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	2.20E+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 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 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	5.00E+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 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+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))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	0.160	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human 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 V (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	Reactome pathway KEGG UniProtKB/SwissProt 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 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 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	3.00E+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 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 V (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	710	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 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	0.0370	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	2.00E+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 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20E+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 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 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	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	1.90	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