BDBM50147169 CHEMBL3765409

SMILES: NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1

InChI Key: InChIKey=YIBCANYWXNDXHL-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 = 50147169   

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 12 (Homo sapiens (Human))	BDBM50147169 (CHEMBL3765409) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50147169 (CHEMBL3765409) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50147169 (CHEMBL3765409) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50147169 (CHEMBL3765409) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C21H15N5O6S/c22-33(31,32)16-8-5-14(6-9-16)24-20(27)12-1-3-13(4-2-12)23-19-17-11-15(26(29)30)7-10-18(17)25-21(19)28/h1-11H,(H,24,27)(H2,22,31,32)(H,23,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair