BindingDB logo
myBDB logout

6 similar compounds to monomer 50201796

Compile data set for download or QSAR
Wt: 279.3
BDBM50308368
Purchase
Wt: 321.3
BDBM50308372
Wt: 384.5
BDBM50201791
Wt: 500.5
BDBM50201794
Wt: 602.6
BDBM50201795
Wt: 394.3
BDBM50201786

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50308368,50308372,50201791,50201794,50201795,50201786   
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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
Show InChI InChI=1S/C23H32N2O3/c1-18(2)28-21-8-6-5-7-20(21)25-15-13-24(14-16-25)12-11-19-9-10-22(26-3)23(17-19)27-4/h5-10,17-18H,11-16H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
Show InChI InChI=1S/C23H32N2O3/c1-18(2)28-21-8-6-5-7-20(21)25-15-13-24(14-16-25)12-11-19-9-10-22(26-3)23(17-19)27-4/h5-10,17-18H,11-16H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
Show InChI InChI=1S/C23H32N2O3/c1-18(2)28-21-8-6-5-7-20(21)25-15-13-24(14-16-25)12-11-19-9-10-22(26-3)23(17-19)27-4/h5-10,17-18H,11-16H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50201794
PNG
(CHEMBL3897445)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)NCCCCNC(N)=N)C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C20H40N10O5/c1-11(2)14(16(33)27-12-6-5-9-30(17(12)34)19(23)24)29-15(32)13(10-31)28-20(35)26-8-4-3-7-25-18(21)22/h11-14,17,31,34H,3-10H2,1-2H3,(H3,23,24)(H,27,33)(H,29,32)(H4,21,22,25)(H2,26,28,35)/t12-,13-,14-,17?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Handerson plot analysis


J Nat Prod 79: 1962-70 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00215
BindingDB Entry DOI: 10.7270/Q2F76FHF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50201795
PNG
(CHEMBL3972383)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1CCCN(C(N)=N)C1=O
Show InChI InChI=1S/C27H42N10O6/c1-15(2)20(22(39)33-18-11-7-13-37(23(18)40)26(30)31)36-21(38)17(10-6-12-32-25(28)29)34-27(43)35-19(24(41)42)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,41,42)(H4,28,29,32)(H2,34,35,43)/t17-,18?,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
163n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis


J Nat Prod 79: 1962-70 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00215
BindingDB Entry DOI: 10.7270/Q2F76FHF
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201786
PNG
(CHEMBL1098543)
Show SMILES COc1ccc(NC2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O6/c1-21(2)20(22-14-9-8-11(28-3)10-15(14)23(26)27)16-18(25)17(24)12-6-4-5-7-13(12)19(16)29-21/h4-10,20,22H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.20E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50308372
PNG
((Z)-5-(4-ethoxy-3-isobutoxybenzylidene)thiazolidin...)
Show SMILES CCOc1ccc(\C=C2/SC(=O)NC2=O)cc1OCC(C)C
Show InChI InChI=1S/C16H19NO4S/c1-4-20-12-6-5-11(7-13(12)21-9-10(2)3)8-14-15(18)17-16(19)22-14/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)/b14-8-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.39E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by ELISA


J Med Chem 53: 2661-5 (2010)


Article DOI: 10.1021/jm901798e
BindingDB Entry DOI: 10.7270/Q28W3DF0
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50308368
PNG
((E)-5-(4-ethoxy-3-methoxybenzylidene)thiazolidine-...)
Show SMILES CCOc1ccc(\C=C2\SC(=O)NC2=O)cc1OC
Show InChI InChI=1S/C13H13NO4S/c1-3-18-9-5-4-8(6-10(9)17-2)7-11-12(15)14-13(16)19-11/h4-7H,3H2,1-2H3,(H,14,15,16)/b11-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.68E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by ELISA


J Med Chem 53: 2661-5 (2010)


Article DOI: 10.1021/jm901798e
BindingDB Entry DOI: 10.7270/Q28W3DF0
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50308368
PNG
((E)-5-(4-ethoxy-3-methoxybenzylidene)thiazolidine-...)
Show SMILES CCOc1ccc(\C=C2\SC(=O)NC2=O)cc1OC
Show InChI InChI=1S/C13H13NO4S/c1-3-18-9-5-4-8(6-10(9)17-2)7-11-12(15)14-13(16)19-11/h4-7H,3H2,1-2H3,(H,14,15,16)/b11-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of IR by ELISA


J Med Chem 53: 2661-5 (2010)


Article DOI: 10.1021/jm901798e
BindingDB Entry DOI: 10.7270/Q28W3DF0
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201786
PNG
(CHEMBL1098543)
Show SMILES COc1ccc(NC2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O6/c1-21(2)20(22-14-9-8-11(28-3)10-15(14)23(26)27)16-18(25)17(24)12-6-4-5-7-13(12)19(16)29-21/h4-10,20,22H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair