BDBM50380156 CHEMBL2010990

SMILES: Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1

InChI Key: InChIKey=QHKMGYYZEXPPKF-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50380156   

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 13 (CA XIII) (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	71	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 isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	13	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				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	380	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 isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	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				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	93	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 isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	25	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				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 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 1 (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	33	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 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	714	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))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	33	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
Carbonic anhydrase (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	13	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 2 (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	25	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 (docked)
Carbonic anhydrase (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	143	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 1 (Homo sapiens (Human))	BDBM50380156 (CHEMBL2010990) Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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-1 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair