BDBM25901 4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide::Indaflex::Indapamide::Indapamide (2)::Lozol::Noranat

SMILES: CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O

InChI Key: InChIKey=NDDAHWYSQHTHNT-UHFFFAOYSA-N

Data: 17 KI  6 IC50  42 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 25901   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase V (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escher...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (1 to 260 residues) expressed in Escherichia coli BL21 (...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic diss...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic diss...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) in p...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluo...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluo...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 ...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 6 expressed in Escherichia coli Rosetta2 (DE3) by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 12 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair