BDBM50504908 CHEMBL4566236

SMILES: NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1

InChI Key: InChIKey=WMAKPMGOFNHAFL-UHFFFAOYSA-N

Data: 24 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 24 hits for monomerid = 50504908   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as kinetic dissociation constant fl...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG 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
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as observed dissociation constant f...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG 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
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as observed dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504908 (CHEMBL4566236) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)[S+]([O-])c1ccccc1 Show InChI InChI=1S/C15H15BrN2O5S2/c16-12-9-13(24(21)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)25(17,22)23/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825
					More data for this Ligand-Target Pair