BDBM50153972 4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-benzenesulfonamide::CHEMBL186716

SMILES: CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1

InChI Key: InChIKey=MMNZRPLKXCXVSZ-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50153972   

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 (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase12 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flo...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli BL21				Bioorg Med Chem Lett 14: 5427-33 (2004) Article DOI: 10.1016/j.bmcl.2004.07.087 BindingDB Entry DOI: 10.7270/Q2XD12DQ
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase2 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase7 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli BL21				Bioorg Med Chem Lett 14: 5427-33 (2004) Article DOI: 10.1016/j.bmcl.2004.07.087 BindingDB Entry DOI: 10.7270/Q2XD12DQ
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase1 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase6 secreted isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 ...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase9 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase IX expressed in Escherichia coli BL21				Bioorg Med Chem Lett 14: 5427-33 (2004) Article DOI: 10.1016/j.bmcl.2004.07.087 BindingDB Entry DOI: 10.7270/Q2XD12DQ
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	704	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase4 membrane-bound isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flo...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	855	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase5A mitochondrial isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flo...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	921	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase13 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase14 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flo...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50153972 (4-(4,6-Bis-methylamino-[1,3,5]triazin-2-ylamino)-b...) Show SMILES CNc1nc(NC)nc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C11H15N7O2S/c1-13-9-16-10(14-2)18-11(17-9)15-7-3-5-8(6-4-7)21(12,19)20/h3-6H,1-2H3,(H2,12,19,20)(H3,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase3 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2...				Bioorg Med Chem 21: 6929-36 (2013) Article DOI: 10.1016/j.bmc.2013.09.031 BindingDB Entry DOI: 10.7270/Q2NG4TKD
					More data for this Ligand-Target Pair