BDBM50130743 CHEMBL3633553

SMILES: Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O

InChI Key: InChIKey=GQJHXMFPCFNLPS-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 = 50130743   

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))	BDBM50130743 (CHEMBL3633553) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.40	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 human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50130743 (CHEMBL3633553) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.40	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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50130743 (CHEMBL3633553) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50130743 (CHEMBL3633553) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	70	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 human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) BindingDB Entry DOI: 10.7270/Q2HH6MX8
					More data for this Ligand-Target Pair