BDBM50098353 CHEMBL3594419

SMILES: NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1

InChI Key: InChIKey=FRZBIBZMUGOBEX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50098353   

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 9 (Homo sapiens (Human))	BDBM50098353 (CHEMBL3594419) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1 Show InChI InChI=1S/C18H18N8O4S6/c19-35(27,28)9-1-3-11-13(7-9)33-17(23-11)25-15(31)21-5-6-22-16(32)26-18-24-12-4-2-10(36(20,29)30)8-14(12)34-18/h1-4,7-8H,5-6H2,(H2,19,27,28)(H2,20,29,30)(H2,21,23,25,31)(H2,22,24,26,32)	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50098353 (CHEMBL3594419) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1 Show InChI InChI=1S/C18H18N8O4S6/c19-35(27,28)9-1-3-11-13(7-9)33-17(23-11)25-15(31)21-5-6-22-16(32)26-18-24-12-4-2-10(36(20,29)30)8-14(12)34-18/h1-4,7-8H,5-6H2,(H2,19,27,28)(H2,20,29,30)(H2,21,23,25,31)(H2,22,24,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50098353 (CHEMBL3594419) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1 Show InChI InChI=1S/C18H18N8O4S6/c19-35(27,28)9-1-3-11-13(7-9)33-17(23-11)25-15(31)21-5-6-22-16(32)26-18-24-12-4-2-10(36(20,29)30)8-14(12)34-18/h1-4,7-8H,5-6H2,(H2,19,27,28)(H2,20,29,30)(H2,21,23,25,31)(H2,22,24,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50098353 (CHEMBL3594419) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)NCCNC(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1 Show InChI InChI=1S/C18H18N8O4S6/c19-35(27,28)9-1-3-11-13(7-9)33-17(23-11)25-15(31)21-5-6-22-16(32)26-18-24-12-4-2-10(36(20,29)30)8-14(12)34-18/h1-4,7-8H,5-6H2,(H2,19,27,28)(H2,20,29,30)(H2,21,23,25,31)(H2,22,24,26,32)	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	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair