null

SMILES: O=C(CSC(=S)NN1CCN(CC1)c1ncccn1)NCc1ccc2OCOc2c1

InChI Key: InChIKey=AMEYZLRGIFKIJZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50258996   

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))	BDBM50258996 (CHEMBL4069396) Show SMILES O=C(CSC(=S)NN1CCN(CC1)c1ncccn1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C19H22N6O3S2/c26-17(22-11-14-2-3-15-16(10-14)28-13-27-15)12-30-19(29)23-25-8-6-24(7-9-25)18-20-4-1-5-21-18/h1-5,10H,6-9,11-13H2,(H,22,26)(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.855	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-2				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50258996 (CHEMBL4069396) Show SMILES O=C(CSC(=S)NN1CCN(CC1)c1ncccn1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C19H22N6O3S2/c26-17(22-11-14-2-3-15-16(10-14)28-13-27-15)12-30-19(29)23-25-8-6-24(7-9-25)18-20-4-1-5-21-18/h1-5,10H,6-9,11-13H2,(H,22,26)(H,23,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.699	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-1				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair