null

SMILES: Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O

InChI Key: InChIKey=SPSNHNYTLIKLAR-PGGKNCGUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50503780   

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 2 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	0.0280	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))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	0.120	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 7 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	0.0310	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 9 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	0.0710	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 12 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	0.690	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 13 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0760	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 1 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	0.640	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 9 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	200	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))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	1.40E+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 13 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	67	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 1 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	560	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))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	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 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 7 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	63	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 5B, mitochondrial (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.00480	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 6 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	920	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))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	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	50	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 6 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.100	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 5B, mitochondrial (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.70	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