BDBM50258995 CHEMBL4060713

SMILES: O=C(CSC(=S)NN1CCN(CC1)c1ccccc1)NCc1ccc2OCOc2c1

InChI Key: InChIKey=BMQWQLHACAILIH-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50258995   

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 1 (Homo sapiens (Human))	BDBM50258995 (CHEMBL4060713) Show SMILES O=C(CSC(=S)NN1CCN(CC1)c1ccccc1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H24N4O3S2/c26-20(22-13-16-6-7-18-19(12-16)28-15-27-18)14-30-21(29)23-25-10-8-24(9-11-25)17-4-2-1-3-5-17/h1-7,12H,8-11,13-15H2,(H,22,26)(H,23,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.518	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