BindingDB logo
myBDB logout

9 similar compounds to monomer 50182795

Wt: 479.6
BDBM50182799		Wt: 495.6
BDBM50182800		Wt: 465.6
BDBM50182802		Wt: 552.6
BDBM50182793		Wt: 495.6
BDBM50182796
Wt: 479.6
BDBM50182797		Wt: 608.7
BDBM50356096		Wt: 539.6
BDBM50356097		Wt: 395.4
BDBM50018018

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50182799,50182800,50182802,50182793,50182796,50182797,50356096,50356097,50018018   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))		BDBM50018018
PNG
(CHEMBL3289679)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H25N3O5S/c1-21(2)14-7-3-6-12-11(14)5-4-8-16(12)27(25,26)20-9-13-17(23)18(24)15(22)10-19-13/h3-8,13,15,17-20,22-24H,9-10H2,1-2H3/t13-,15-,17+,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.5n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-glucocerebrosidase using 2,4-dinitrophenyl-beta-D-glucopyranoside as substrate by UV spectrophotometric analysis

Bioorg Med Chem Lett 24: 2777-80 (2014)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)		BDBM50182793
PNG
(CHEMBL208677 | N-(2-(1-(dimethylamino)naphthalene-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C26H40N4O7S/c1-29(2)20-10-6-9-19-18(20)8-7-11-23(19)38(36,37)28-14-13-27-24(33)12-4-3-5-15-30-16-22(32)26(35)25(34)21(30)17-31/h6-11,21-22,25-26,28,31-32,34-35H,3-5,12-17H2,1-2H3,(H,27,33)/t21-,22+,25-,26-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 140n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase

Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
beta-Galactosidase (β-gal)


(Escherichia coli (Enterobacteria))		BDBM50356096
PNG
(CHEMBL1911831)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C30H48N4O7S/c1-33(2)24-14-10-13-23-22(24)12-11-15-27(23)42(40,41)32-18-8-4-3-7-17-31-28(37)16-6-5-9-19-34-20-26(36)30(39)29(38)25(34)21-35/h10-15,25-26,29-30,32,35-36,38-39H,3-9,16-21H2,1-2H3,(H,31,37)/t25-,26+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 270n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry

Bioorg Med Chem Lett 21: 6872-5 (2011)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)		BDBM50182796
PNG
(5-(dimethylamino)-N-(6-((2R,3R,4R,5S)-3,4,5-trihyd...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(18)34(32,33)25-13-5-3-4-6-14-27-15-21(29)24(31)23(30)20(27)16-28/h7-12,20-21,23-25,28-31H,3-6,13-16H2,1-2H3/t20-,21+,23-,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 320n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase

Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)		BDBM50182797
PNG
(5-(dimethylamino)-N-(6-((2S,3R,4S,5R)-3,4,5-trihyd...)
Show SMILES C[C@H]1[C@@H](O)[C@@H](O)[C@H](O)CN1CCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C24H37N3O5S/c1-17-23(29)24(30)21(28)16-27(17)15-7-5-4-6-14-25-33(31,32)22-13-9-10-18-19(22)11-8-12-20(18)26(2)3/h8-13,17,21,23-25,28-30H,4-7,14-16H2,1-3H3/t17-,21+,23+,24-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 500n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of human liver alpha-L-fucosidase

Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)		BDBM50356097
PNG
(CHEMBL461161)
Show SMILES COC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C25H37N3O8S/c1-27(2)19-11-6-9-17-16(19)8-7-12-22(17)37(34,35)26-18(25(33)36-3)10-4-5-13-28-14-21(30)24(32)23(31)20(28)15-29/h6-9,11-12,18,20-21,23-24,26,29-32H,4-5,10,13-15H2,1-3H3/t18-,20+,21-,23-,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...

Bioorg Med Chem Lett 21: 6872-5 (2011)

More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)		BDBM50356096
PNG
(CHEMBL1911831)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C30H48N4O7S/c1-33(2)24-14-10-13-23-22(24)12-11-15-27(23)42(40,41)32-18-8-4-3-7-17-31-28(37)16-6-5-9-19-34-20-26(36)30(39)29(38)25(34)21-35/h10-15,25-26,29-30,32,35-36,38-39H,3-9,16-21H2,1-2H3,(H,31,37)/t25-,26+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 700n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence ...

Bioorg Med Chem Lett 21: 6872-5 (2011)

More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))		BDBM50356096
PNG
(CHEMBL1911831)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C30H48N4O7S/c1-33(2)24-14-10-13-23-22(24)12-11-15-27(23)42(40,41)32-18-8-4-3-7-17-31-28(37)16-6-5-9-19-34-20-26(36)30(39)29(38)25(34)21-35/h10-15,25-26,29-30,32,35-36,38-39H,3-9,16-21H2,1-2H3,(H,31,37)/t25-,26+,29+,30-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.40E+3n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry

Bioorg Med Chem Lett 21: 6872-5 (2011)

More data for this
Ligand-Target Pair
Beta-xylosidase


(Thermoanaerobacter saccharolyticum)		BDBM50182802
PNG
(5-(dimethylamino)-N-(6-((3R,4r,5S)-3,4,5-trihydrox...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1
Show InChI InChI=1S/C23H35N3O5S/c1-25(2)19-11-7-10-18-17(19)9-8-12-22(18)32(30,31)24-13-5-3-4-6-14-26-15-20(27)23(29)21(28)16-26/h7-12,20-21,23-24,27-29H,3-6,13-16H2,1-2H3/t20-,21+,23+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.60E+3n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Thermoanaerobacterium saccharolyticum beta-xylosidase

Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)		BDBM50182799
PNG
(CHEMBL205592 | N-(6-((3R,4R,5R)-3,4-dihydroxy-5-(h...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C24H37N3O5S/c1-26(2)21-11-7-10-20-19(21)9-8-12-23(20)33(31,32)25-13-5-3-4-6-14-27-15-18(17-28)24(30)22(29)16-27/h7-12,18,22,24-25,28-30H,3-6,13-17H2,1-2H3/t18-,22-,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.00E+3n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase

Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair
Beta-glucosidase


(Agrobacterium tumefaciens)		BDBM50018018
PNG
(CHEMBL3289679)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H25N3O5S/c1-21(2)14-7-3-6-12-11(14)5-4-8-16(12)27(25,26)20-9-13-17(23)18(24)15(22)10-19-13/h3-8,13,15,17-20,22-24H,9-10H2,1-2H3/t13-,15-,17+,18+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.60E+4n/an/an/an/an/an/an/an/a



Technical University Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta glucosidase using 2,4-dinitrophenyl-beta-D-glucopyranoside as substrate measured for 3 mins

Bioorg Med Chem Lett 24: 2777-80 (2014)

More data for this
Ligand-Target Pair
Alpha-mannosidase


(Glycine max)		BDBM50182800
PNG
(5-(dimethylamino)-N-(6-((2R,3R,4R,5R)-3,4,5-trihyd...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C24H37N3O6S/c1-26(2)19-11-7-10-18-17(19)9-8-12-22(18)34(32,33)25-13-5-3-4-6-14-27-15-21(29)24(31)23(30)20(27)16-28/h7-12,20-21,23-25,28-31H,3-6,13-16H2,1-2H3/t20-,21-,23-,24-/m1/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.80E+4n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of jack beans alpha-mannosidase

Bioorg Med Chem Lett 16: 2067-70 (2006)

More data for this
Ligand-Target Pair