BindingDB logo
myBDB logout

20 similar compounds to monomer 50089687

Compile data set for download or QSAR
Wt: 686.6
BDBM50035390
Wt: 612.6
BDBM50035393
Wt: 267.2
BDBM50089674
Wt: 262.7
BDBM50089677
Wt: 276.7
BDBM50089678
Wt: 249.6
BDBM50089679
Wt: 242.3
BDBM50089683
Wt: 515.1
BDBM50089684
Wt: 571.5
BDBM50107718
Wt: 461.5
BDBM50107721
Wt: 473.5
BDBM50107735
Wt: 516.5
BDBM50134794
Wt: 413.4
BDBM50107724
Wt: 294.7
BDBM50134792
Wt: 560.7
BDBM50134791
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50035390,50035393,50089674,50089677,50089678,50089679,50089683,50089684,50107718,50107721,50107735,50134794,50107724,50134792,50134791   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50035390
PNG
(CHEMBL3343369)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nnn(c4C(F)(F)F)-c4ccc(F)c(F)c4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H28F6N6O4/c1-47-28-17-21-25(18-29(28)48-14-4-13-44-11-2-3-12-44)40-10-9-26(21)49-27-8-5-19(15-24(27)36)41-32(46)30-31(33(37,38)39)45(43-42-30)20-6-7-22(34)23(35)16-20/h5-10,15-18H,2-4,11-14H2,1H3,(H,41,46)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 22: 6438-52 (2014)


Article DOI: 10.1016/j.bmc.2014.09.037
BindingDB Entry DOI: 10.7270/Q2BG2QM2
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50134794
PNG
(CHEMBL3746637)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D (unknown origin)


Bioorg Med Chem Lett 26: 51-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089674
PNG
(CHEMBL3577315)
Show SMILES CCc1nc(N)ncc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H12F3N3/c1-2-11-10(7-18-12(17)19-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3,(H2,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexA using pNPGlcNAc substrate


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089677
PNG
(CHEMBL3577318)
Show SMILES CC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN4/c1-7(2)11-10(12(15)18-13(16)17-11)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H4,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.10E+5n/an/an/an/an/an/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexA using pNPGlcNAc substrate


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089678
PNG
(CHEMBL3577319)
Show SMILES CCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4/c1-2-3-4-11-12(13(16)19-14(17)18-11)9-5-7-10(15)8-6-9/h5-8H,2-4H2,1H3,(H4,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.40E+6n/an/an/an/an/an/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexA using pNPGlcNAc substrate


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089679
PNG
(CHEMBL3577320)
Show SMILES NCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H12ClN5/c12-7-3-1-6(2-4-7)9-8(5-13)16-11(15)17-10(9)14/h1-4H,5,13H2,(H4,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexA using pNPGlcNAc substrate


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50089683
PNG
(CHEMBL3577324)
Show SMILES CCc1nc(N)nc(N)c1-c1cc(C)cc(C)c1
Show InChI InChI=1S/C14H18N4/c1-4-11-12(13(15)18-14(16)17-11)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexA using pNPGlcNAc substrate


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50089684
PNG
(CHEMBL3577447)
Show SMILES Cl.CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C26H46N4O4.ClH/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27;/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34);1H/t18?,19-,20+,21?,26?;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam substrate incubated for 10 mins by LC-MS/MS method


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50089684
PNG
(CHEMBL3577447)
Show SMILES Cl.CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C26H46N4O4.ClH/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27;/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34);1H/t18?,19-,20+,21?,26?;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone substrate incubated for 30 mins by LC-MS/MS method


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50089684
PNG
(CHEMBL3577447)
Show SMILES Cl.CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1/C26H46N4O4.ClH/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27;/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34);1H/t18?,19-,20+,21?,26?;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp assay


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50107718
PNG
(CHEMBL3600506)
Show SMILES CCNC(=O)c1noc(c1C#CN1CCN(CC1)C(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H28F3N5O5/c1-4-32-26(39)24-18(25(41-34-24)20-13-19(16(2)3)21(37)14-22(20)38)7-8-35-9-11-36(12-10-35)27(40)17-5-6-23(33-15-17)28(29,30)31/h5-6,13-16,37-38H,4,9-12H2,1-3H3,(H,32,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Chengdu University of TCM

Curated by ChEMBL


Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 3129-34 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50107721
PNG
(CHEMBL3600503)
Show SMILES CCNC(=O)c1noc(c1C#CCN1CCS(=O)(=O)CC1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C22H27N3O6S/c1-4-23-22(28)20-15(6-5-7-25-8-10-32(29,30)11-9-25)21(31-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Chengdu University of TCM

Curated by ChEMBL


Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 3129-34 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50107724
PNG
(CHEMBL3600500)
Show SMILES CCNC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C22H27N3O5/c1-4-23-22(28)20-15(6-5-7-25-8-10-29-11-9-25)21(30-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Chengdu University of TCM

Curated by ChEMBL


Assay Description
Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 3129-34 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50107718
PNG
(CHEMBL3600506)
Show SMILES CCNC(=O)c1noc(c1C#CN1CCN(CC1)C(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H28F3N5O5/c1-4-32-26(39)24-18(25(41-34-24)20-13-19(16(2)3)21(37)14-22(20)38)7-8-35-9-11-36(12-10-35)27(40)17-5-6-23(33-15-17)28(29,30)31/h5-6,13-16,37-38H,4,9-12H2,1-3H3,(H,32,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Chengdu University of TCM

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 3129-34 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50107721
PNG
(CHEMBL3600503)
Show SMILES CCNC(=O)c1noc(c1C#CCN1CCS(=O)(=O)CC1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C22H27N3O6S/c1-4-23-22(28)20-15(6-5-7-25-8-10-32(29,30)11-9-25)21(31-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Chengdu University of TCM

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 3129-34 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50107724
PNG
(CHEMBL3600500)
Show SMILES CCNC(=O)c1noc(c1C#CCN1CCOCC1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C22H27N3O5/c1-4-23-22(28)20-15(6-5-7-25-8-10-29-11-9-25)21(30-24-20)17-12-16(14(2)3)18(26)13-19(17)27/h12-14,26-27H,4,7-11H2,1-3H3,(H,23,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Chengdu University of TCM

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 25: 3129-34 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.009
BindingDB Entry DOI: 10.7270/Q2959KB2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50107735
PNG
(CHEMBL3600815)
Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1
Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 25: 3264-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.077
BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50107735
PNG
(CHEMBL3600815)
Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1
Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 receptor (unknown origin)


Bioorg Med Chem Lett 25: 3264-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.077
BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50107735
PNG
(CHEMBL3600815)
Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1
Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.62E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 3264-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.077
BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50107735
PNG
(CHEMBL3600815)
Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1
Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Bioorg Med Chem Lett 25: 3264-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.077
BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50134791
PNG
(CHEMBL3734863)
Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1/C35H48N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,9,20-21,24,26-29,31,36,38H,8,10-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,24+,26+,27-,28+,29+,31+,34+,35-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of biotinylated ephrin-B1-Fc from EphB3 (unknown origin) preincubated for 1 hr followed by biotinylated-ephrin-B1-Fc addition measured a...


Eur J Med Chem 103: 312-24 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.048
BindingDB Entry DOI: 10.7270/Q2KW5HWM
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50134791
PNG
(CHEMBL3734863)
Show SMILES C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1/C35H48N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,9,20-21,24,26-29,31,36,38H,8,10-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,24+,26+,27-,28+,29+,31+,34+,35-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of biotinylated ephrin-B1-Fc from EphB4 (unknown origin) preincubated for 1 hr followed by biotinylated-ephrin-B1-Fc addition measured a...


Eur J Med Chem 103: 312-24 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.048
BindingDB Entry DOI: 10.7270/Q2KW5HWM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50134792
PNG
(CHEMBL3736131)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(Cl)s2)c(O)c1
Show InChI InChI=1S/C14H11ClO3S/c1-18-9-2-5-11(13(17)8-9)12(16)6-3-10-4-7-14(15)19-10/h2-8,17H,1H3/b6-3+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 185n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry


Bioorg Med Chem Lett 25: 5270-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.049
BindingDB Entry DOI: 10.7270/Q27S7QM4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50134794
PNG
(CHEMBL3746637)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay


Bioorg Med Chem Lett 26: 51-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50134794
PNG
(CHEMBL3746637)
Show SMILES CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C29H29FN4O4/c1-29(2,3)38-28(36)34-16-24(33-27-31-22-14-13-21(30)15-23(22)32-27)25(17-34)37-26(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,24-25H,16-17H2,1-3H3,(H2,31,32,33)/t24-,25-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of BACE2 (unknown origin)


Bioorg Med Chem Lett 26: 51-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50035393
PNG
(CHEMBL3343372)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nnn(c4C)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C33H33FN6O5/c1-22-32(37-38-40(22)24-7-4-3-5-8-24)33(41)36-23-9-10-29(26(34)19-23)45-28-11-12-35-27-21-31(30(42-2)20-25(27)28)44-16-6-13-39-14-17-43-18-15-39/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,36,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 22: 6438-52 (2014)


Article DOI: 10.1016/j.bmc.2014.09.037
BindingDB Entry DOI: 10.7270/Q2BG2QM2
More data for this
Ligand-Target Pair