BDBM50098362 CHEMBL3594411

SMILES: Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N

InChI Key: InChIKey=ONZHQMXVJMQHDD-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 = 50098362   

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 2 (Homo sapiens (Human))	BDBM50098362 (CHEMBL3594411) Show SMILES Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N Show InChI InChI=1S/C13H11N7O3S2/c14-4-7-5-17-20(12(7)15)6-11(21)19-13-18-9-2-1-8(25(16,22)23)3-10(9)24-13/h1-3,5H,6,15H2,(H2,16,22,23)(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	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))	BDBM50098362 (CHEMBL3594411) Show SMILES Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N Show InChI InChI=1S/C13H11N7O3S2/c14-4-7-5-17-20(12(7)15)6-11(21)19-13-18-9-2-1-8(25(16,22)23)3-10(9)24-13/h1-3,5H,6,15H2,(H2,16,22,23)(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	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))	BDBM50098362 (CHEMBL3594411) Show SMILES Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N Show InChI InChI=1S/C13H11N7O3S2/c14-4-7-5-17-20(12(7)15)6-11(21)19-13-18-9-2-1-8(25(16,22)23)3-10(9)24-13/h1-3,5H,6,15H2,(H2,16,22,23)(H,18,19,21)	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	27	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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50098362 (CHEMBL3594411) Show SMILES Nc1c(cnn1CC(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O)C#N Show InChI InChI=1S/C13H11N7O3S2/c14-4-7-5-17-20(12(7)15)6-11(21)19-13-18-9-2-1-8(25(16,22)23)3-10(9)24-13/h1-3,5H,6,15H2,(H2,16,22,23)(H,18,19,21)	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	276	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