BDBM163640 5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7.4.0.0²,⁷]trideca1(9),2(7),3,5tetraene (Inh 5)::US9334288, 5

SMILES: CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21

InChI Key: InChIKey=SVALUENWPLKUMZ-UHFFFAOYSA-N

Data: 3 KI  2 IC50  2 EC50

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 7 hits for monomerid = 163640   

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 (EcGUS) (Escherichia coli (Enterobacteria))	BDBM163640 (5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21 Show InChI InChI=1S/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill					Assay Description Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 µL assay buffer, 5 µL inhibitor solution, 5 µL of 10 nM enz...				Chem Biol 22: 1238-49 (2015) Article DOI: 10.1016/j.chembiol.2015.08.005 BindingDB Entry DOI: 10.7270/Q2Q52NCD
					More data for this Ligand-Target Pair
Beta-glucuronidase (CpGUS) (Clostridium perfringens (Firmicutes))	BDBM163640 (5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21 Show InChI InChI=1S/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill					Assay Description Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 µL assay buffer, 5 µL inhibitor solution, 5 µL of 10 nM enz...				Chem Biol 22: 1238-49 (2015) Article DOI: 10.1016/j.chembiol.2015.08.005 BindingDB Entry DOI: 10.7270/Q2Q52NCD
					More data for this Ligand-Target Pair
Beta-glucuronidase (SaGUS) (Streptococcus agalactiae (Firmicutes))	BDBM163640 (5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21 Show InChI InChI=1S/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill					Assay Description Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 µL assay buffer, 5 µL inhibitor solution, 5 µL of 10 nM enz...				Chem Biol 22: 1238-49 (2015) Article DOI: 10.1016/j.chembiol.2015.08.005 BindingDB Entry DOI: 10.7270/Q2Q52NCD
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM163640 (5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21 Show InChI InChI=1S/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	213	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
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM163640 (5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21 Show InChI InChI=1S/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	92.4	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))	BDBM163640 (5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21 Show InChI InChI=1S/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	99.9	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))	BDBM163640 (5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7...) Show SMILES CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21 Show InChI InChI=1S/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	231	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