BDBM50196623 CHEMBL3976182::US10167270, Example 00164::US10501435, Compound 11g

SMILES: C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1

InChI Key: InChIKey=JCDASFBLAYXAIQ-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50196623   

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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 7 preincubated for 5 mins followed by addition o...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	5.0	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5 preincubated for 5 mins followed by addition o...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	5.9	n/a
Northwestern University Feinberg School of Medicine Curated by ChEMBL					Assay Description Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5.9 preincubated for 5 mins followed by addition...				J Med Chem 59: 8508-20 (2016) Article DOI: 10.1021/acs.jmedchem.6b00930 BindingDB Entry DOI: 10.7270/Q2QF8VV6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 5.9.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 7.0.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds in DMSO solution (0.5 μL/well) were transferred to a black 96-well plate (the final titration started from 100 μM, a 12 or 24...				US Patent US10501435 (2019) BindingDB Entry DOI: 10.7270/Q24170FP
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50196623 (CHEMBL3976182 | US10167270, Example 00164 | US1050...) Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description pH = 5.0.				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair