BDBM229595 US9334288, 9

SMILES: C1CCc2c(C1)c(nc1sc3c(nnnc3c21)N1CCNCC1)N1CCOCC1

InChI Key: InChIKey=ZPVQONCMKZBGTB-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 229595   

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
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM229595 (US9334288, 9) Show SMILES C1CCc2c(C1)c(nc1sc3c(nnnc3c21)N1CCNCC1)N1CCOCC1 Show InChI InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.17	n/a	n/a	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description PNPG Assay: Two ß-glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...				US Patent US9334288 (2016) BindingDB Entry DOI: 10.7270/Q270809V
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM229595 (US9334288, 9) Show SMILES C1CCc2c(C1)c(nc1sc3c(nnnc3c21)N1CCNCC1)N1CCOCC1 Show InChI InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	3.58	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description PNPG Assay: Two ß-glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...				US Patent US9334288 (2016) BindingDB Entry DOI: 10.7270/Q270809V
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM229595 (US9334288, 9) Show SMILES C1CCc2c(C1)c(nc1sc3c(nnnc3c21)N1CCNCC1)N1CCOCC1 Show InChI InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase (unknown origin)				Eur J Med Chem 187: (2020)
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM229595 (US9334288, 9) Show SMILES C1CCc2c(C1)c(nc1sc3c(nnnc3c21)N1CCNCC1)N1CCOCC1 Show InChI InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	n/a	3.41	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description PheG Assay: Two ß-glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...				US Patent US9334288 (2016) BindingDB Entry DOI: 10.7270/Q270809V
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM229595 (US9334288, 9) Show SMILES C1CCc2c(C1)c(nc1sc3c(nnnc3c21)N1CCNCC1)N1CCOCC1 Show InChI InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.984	n/a	n/a	n/a	n/a	n/a	n/a
The University of North Carolina at Chapel Hill US Patent					Assay Description PheG Assay: Two ß-glucuronidase activity assays were employed to examine the potency of inhibitors both in vitro and in cell-based studies. An absorb...				US Patent US9334288 (2016) BindingDB Entry DOI: 10.7270/Q270809V
					More data for this Ligand-Target Pair