BDBM50503806 CHEMBL4553790

SMILES: NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1

InChI Key: InChIKey=BITDKWNMAVDYRW-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 = 50503806   

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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	210	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	51	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	0.0150	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	0.00850	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	1.10	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human 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 2 (Homo sapiens (Human))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	0.0300	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0730	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	38	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB UniProtKB/SwissProt 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 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 2 (Homo sapiens (Human))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	87	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	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 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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.70E+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 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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	0.0890	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	190	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	0.150	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))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	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	3.50E+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 (Homo sapiens (Human))	BDBM50503806 (CHEMBL4553790) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccccc2Br)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-14-3-1-2-4-15(14)21-10-11(9-16(21)22)17(23)20-12-5-7-13(8-6-12)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.270	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