BDBM50235202 CHEMBL4079335

SMILES: Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cncc(c2)C#N)CC1

InChI Key: InChIKey=HKZDGSKUZVILNC-QFIPXVFZSA-N

Data: 2 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 2 hits for monomerid = 50235202   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50235202 (CHEMBL4079335) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cncc(c2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-19(2-3-20-21(16)14-33-24(20)32)22(30)13-28-6-4-25(5-7-28)9-23(31)29(15-25)18-8-17(10-26)11-27-12-18/h2-3,8,11-12,22,30H,4-7,9,13-15H2,1H3/t22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 27: 1109-1114 (2017) Article DOI: 10.1016/j.bmcl.2016.10.032 BindingDB Entry DOI: 10.7270/Q2T43WC8
					More data for this Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50235202 (CHEMBL4079335) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cncc(c2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-19(2-3-20-21(16)14-33-24(20)32)22(30)13-28-6-4-25(5-7-28)9-23(31)29(15-25)18-8-17(10-26)11-27-12-18/h2-3,8,11-12,22,30H,4-7,9,13-15H2,1H3/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity				Bioorg Med Chem Lett 27: 1109-1114 (2017) Article DOI: 10.1016/j.bmcl.2016.10.032 BindingDB Entry DOI: 10.7270/Q2T43WC8
					More data for this Ligand-Target Pair