BDBM50494019 CHEMBL2443196

SMILES: Cc1nc(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1

InChI Key: InChIKey=CWKSXTMMSXHYOD-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50494019   

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 2 (Homo sapiens (Human))	BDBM50494019 (CHEMBL2443196) Show SMILES Cc1nc(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H18ClN3O4S2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-20(23-12)29-11-17(25)14-7-8-18(16(21)10-14)30(22,27)28/h2-8,10H,9,11H2,1H3,(H2,22,27,28)(H,23,24,26)	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	67	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
Carbonic anhydrase (Homo sapiens (Human))	BDBM50494019 (CHEMBL2443196) Show SMILES Cc1nc(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H18ClN3O4S2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-20(23-12)29-11-17(25)14-7-8-18(16(21)10-14)30(22,27)28/h2-8,10H,9,11H2,1H3,(H2,22,27,28)(H,23,24,26)	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	20	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))	BDBM50494019 (CHEMBL2443196) Show SMILES Cc1nc(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H18ClN3O4S2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-20(23-12)29-11-17(25)14-7-8-18(16(21)10-14)30(22,27)28/h2-8,10H,9,11H2,1H3,(H2,22,27,28)(H,23,24,26)	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	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 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))	BDBM50494019 (CHEMBL2443196) Show SMILES Cc1nc(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H18ClN3O4S2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-20(23-12)29-11-17(25)14-7-8-18(16(21)10-14)30(22,27)28/h2-8,10H,9,11H2,1H3,(H2,22,27,28)(H,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.90E+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 (Homo sapiens (Human))	BDBM50494019 (CHEMBL2443196) Show SMILES Cc1nc(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H18ClN3O4S2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-20(23-12)29-11-17(25)14-7-8-18(16(21)10-14)30(22,27)28/h2-8,10H,9,11H2,1H3,(H2,22,27,28)(H,23,24,26)	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	1.11E+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))	BDBM50494019 (CHEMBL2443196) Show SMILES Cc1nc(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C20H18ClN3O4S2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-20(23-12)29-11-17(25)14-7-8-18(16(21)10-14)30(22,27)28/h2-8,10H,9,11H2,1H3,(H2,22,27,28)(H,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 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