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9 similar compounds to monomer 50153076

Wt: 389.4
BDBM50071955
Wt: 435.5
BDBM50083711
Wt: 388.2
BDBM50111128
Wt: 333.4
BDBM50111134
Wt: 374.2
BDBM50111139
Wt: 297.3
BDBM50111146
Wt: 360.3
BDBM50111152
Wt: 511.6
BDBM50165433

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50071955,50083711,50111128,50111134,50111139,50111146,50111152,50165433   
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
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50071955
PNG
(CHEMBL3407627)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C21H15N3O3S/c25-16-10-9-15(18(26)11-16)12-22-24-20(27)13-5-7-14(8-6-13)21-23-17-3-1-2-4-19(17)28-21/h1-12,25-26H,(H,24,27)/b22-12+
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Article
PubMed
n/an/a 5.58E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method


Eur J Med Chem 92: 387-400 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.009
BindingDB Entry DOI: 10.7270/Q2H996WX
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50083711
PNG
(CHEMBL3423128)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1cc(nn1-c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C25H29N3O4/c1-3-5-6-10-16-26-25(30)32-21-15-11-12-19(17-21)23-18-22(24(29)31-4-2)27-28(23)20-13-8-7-9-14-20/h7-9,11-15,17-18H,3-6,10,16H2,1-2H3,(H,26,30)
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PubMed
n/an/a 88n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate after 30 mins by fluorescence assay


Eur J Med Chem 97: 289-305 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.064
BindingDB Entry DOI: 10.7270/Q29S1SR3
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50111128
PNG
(CHEMBL3604764)
Show SMILES CN(C)C(=O)c1cccc2c(NCc3cccc(Cl)c3Cl)cc(C)nc12
Show InChI InChI=1S/C20H19Cl2N3O/c1-12-10-17(23-11-13-6-4-9-16(21)18(13)22)14-7-5-8-15(19(14)24-12)20(26)25(2)3/h4-10H,11H2,1-3H3,(H,23,24)
PDB
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KEGG

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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay


J Med Chem 58: 7021-56 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50111134
PNG
(CHEMBL3603850)
Show SMILES Cc1cc(C(N)=O)c2nc(C)cc(NCc3c(C)cccc3C)c2c1
Show InChI InChI=1S/C21H23N3O/c1-12-8-16-19(23-11-18-13(2)6-5-7-14(18)3)10-15(4)24-20(16)17(9-12)21(22)25/h5-10H,11H2,1-4H3,(H2,22,25)(H,23,24)
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n/an/a 2.40E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay


J Med Chem 58: 7021-56 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50165433
PNG
(CHEMBL3799493)
Show SMILES CCN(CC)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C27H37N5O5/c1-6-19-11-20(9-17(4)25(19)36-16-23(34)13-28-24(35)15-33)26-30-27(37-31-26)21-10-18(5)29-22(12-21)14-32(7-2)8-3/h9-12,23,33-34H,6-8,13-16H2,1-5H3,(H,28,35)/t23-/m0/s1
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PubMed
n/an/an/an/a 8.10E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50111146
PNG
(CHEMBL3604747)
Show SMILES Cc1cc(NCC2CCCCC2)c2cccc(C(N)=O)c2n1
Show InChI InChI=1S/C18H23N3O/c1-12-10-16(20-11-13-6-3-2-4-7-13)14-8-5-9-15(18(19)22)17(14)21-12/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,19,22)(H,20,21)
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay


J Med Chem 58: 7021-56 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50111152
PNG
(CHEMBL3604741)
Show SMILES Cc1cc(NCc2ncccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
Show InChI InChI=1S/C18H15F3N4O/c1-10-8-14(11-4-2-5-12(17(22)26)16(11)25-10)24-9-15-13(18(19,20)21)6-3-7-23-15/h2-8H,9H2,1H3,(H2,22,26)(H,24,25)
PDB
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Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay


J Med Chem 58: 7021-56 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50165433
PNG
(CHEMBL3799493)
Show SMILES CCN(CC)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C27H37N5O5/c1-6-19-11-20(9-17(4)25(19)36-16-23(34)13-28-24(35)15-33)26-30-27(37-31-26)21-10-18(5)29-22(12-21)14-32(7-2)8-3/h9-12,23,33-34H,6-8,13-16H2,1-5H3,(H,28,35)/t23-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50111139
PNG
(CHEMBL3604754)
Show SMILES CN(Cc1c(Cl)cccc1Cl)c1cc(C)nc2c(cccc12)C(N)=O
Show InChI InChI=1S/C19H17Cl2N3O/c1-11-9-17(12-5-3-6-13(19(22)25)18(12)23-11)24(2)10-14-15(20)7-4-8-16(14)21/h3-9H,10H2,1-2H3,(H2,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay


J Med Chem 58: 7021-56 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX
More data for this
Ligand-Target Pair