BDBM35731 sulfonamide deriv., 5f

SMILES: NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1

InChI Key: InChIKey=DWGJCBRJYFGGNR-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 35731   

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 7 (Homo sapiens (Human))	BDBM35731 (sulfonamide deriv., 5f) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 19: 3170-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.123 BindingDB Entry DOI: 10.7270/Q2TQ61V6
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM35731 (sulfonamide deriv., 5f) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8	-11.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM35731 (sulfonamide deriv., 5f) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	10.2	-10.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM35731 (sulfonamide deriv., 5f) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 19: 3170-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.123 BindingDB Entry DOI: 10.7270/Q2TQ61V6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM35731 (sulfonamide deriv., 5f) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	53	-9.92	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM35731 (sulfonamide deriv., 5f) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 19: 3170-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.123 BindingDB Entry DOI: 10.7270/Q2TQ61V6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM35731 (sulfonamide deriv., 5f) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	68	-9.77	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair