BDBM35741 sulfonamide deriv., 7i

SMILES: NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1

InChI Key: InChIKey=DWBDLRRSMVHYTQ-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 = 35741   

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 VA (Homo sapiens (Human))	BDBM35741 (sulfonamide deriv., 7i) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	-11.1	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 7 (Homo sapiens (Human))	BDBM35741 (sulfonamide deriv., 7i) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	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))	BDBM35741 (sulfonamide deriv., 7i) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	-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 1 (Homo sapiens (Human))	BDBM35741 (sulfonamide deriv., 7i) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	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))	BDBM35741 (sulfonamide deriv., 7i) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	-9.73	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM35741 (sulfonamide deriv., 7i) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	97	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))	BDBM35741 (sulfonamide deriv., 7i) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	97	-9.56	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				3D Structure (docked)