BDBM50503787 CHEMBL4465027

SMILES: COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O

InChI Key: InChIKey=GPAVHWNLQIBJCP-UHFFFAOYSA-N

Data: 20 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 20 hits for monomerid = 50503787   

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 V (Homo sapiens (Human))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0660	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	7.40	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human 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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	PDB UniProtKB/SwissProt 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 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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	0.350	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	3.5	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	0.0710	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	0.540	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	2.20	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human 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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	1.60E+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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	840	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	1.10E+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 V (Homo sapiens (Human))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	180	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	1.60E+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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	1.00E+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 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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	PDB UniProtKB/SwissProt 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 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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	31	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	PDB UniProtKB/SwissProt 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 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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	1.20E+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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	580	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))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	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	0.00900	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