BDBM50098361 CHEMBL3594412

SMILES: CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N

InChI Key: InChIKey=XJQPUVAQAYCYQT-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 = 50098361   

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))	BDBM50098361 (CHEMBL3594412) Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N Show InChI InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	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 2 (Homo sapiens (Human))	BDBM50098361 (CHEMBL3594412) Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N Show InChI InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	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 1 (Homo sapiens (Human))	BDBM50098361 (CHEMBL3594412) Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N Show InChI InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)	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))	BDBM50098361 (CHEMBL3594412) Show SMILES CSc1nn(CC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)c(N)c1C#N Show InChI InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)	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	295	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