BDBM50503783 CHEMBL4590754

SMILES: Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O

InChI Key: InChIKey=TZMUZODFGLCMBN-UHFFFAOYSA-N

Data: 18 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 18 hits for monomerid = 50503783   

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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	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 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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	1.40	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human 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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20	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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	1.30E+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 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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	2.10	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 2 (Homo sapiens (Human))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	0.520	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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	0.420	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	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 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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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+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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.70E+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 (Homo sapiens (Human))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	9.10E+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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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+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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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 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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.30E+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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	7.10E+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))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.990	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	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	0.190	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 V (Homo sapiens (Human))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.630	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