BindingDB logo
myBDB logout

3 similar compounds to monomer 50236951

Compile data set for download or QSAR
Wt: 452.5
BDBM50236957
Wt: 697.8
BDBM50236937
Wt: 685.8
BDBM50236938

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50236957,50236937,50236938   
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
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236938
PNG
(CHEMBL4086405)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O5S/c1-23(44)31(34(48)41-27(16-10-22-39-36(37)38)32(46)35-42-26-15-8-9-17-29(26)49-35)43-33(47)28(20-18-24-11-4-2-5-12-24)40-30(45)21-19-25-13-6-3-7-14-25/h2-9,11-15,17,23,27-28,31,44H,10,16,18-22H2,1H3,(H,40,45)(H,41,48)(H,43,47)(H4,37,38,39)/t23-,27-,28-,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
3.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)

More data for this
Ligand-Target Pair
Transmembrane protease serine 6


(Homo sapiens (Human))
BDBM50236937
PNG
(CHEMBL4074504)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H47N7O4S/c1-3-25(2)33(36(49)43-29(18-12-24-41-38(39)40)34(47)37-44-28-17-10-11-19-31(28)50-37)45-35(48)30(22-20-26-13-6-4-7-14-26)42-32(46)23-21-27-15-8-5-9-16-27/h4-11,13-17,19,25,29-30,33H,3,12,18,20-24H2,1-2H3,(H,42,46)(H,43,49)(H,45,48)(H4,39,40,41)/t25-,29+,30+,33-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured...


Eur J Med Chem 129: 110-123 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
7.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in rat whole forebrain membranes using [3H][Sar9Met(O2)]-SP binding assay


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
7.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
8.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
78n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50236937
PNG
(CHEMBL4074504)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C38H47N7O4S/c1-3-25(2)33(36(49)43-29(18-12-24-41-38(39)40)34(47)37-44-28-17-10-11-19-31(28)50-37)45-35(48)30(22-20-26-13-6-4-7-14-26)42-32(46)23-21-27-15-8-5-9-16-27/h4-11,13-17,19,25,29-30,33H,3,12,18,20-24H2,1-2H3,(H,42,46)(H,43,49)(H,45,48)(H4,39,40,41)/t25-,29+,30+,33-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
150n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Eur J Med Chem 129: 110-123 (2017)

More data for this
Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50236938
PNG
(CHEMBL4086405)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C36H43N7O5S/c1-23(44)31(34(48)41-27(16-10-22-39-36(37)38)32(46)35-42-26-15-8-9-17-29(26)49-35)43-33(47)28(20-18-24-11-4-2-5-12-24)40-30(45)21-19-25-13-6-3-7-14-25/h2-9,11-15,17,23,27-28,31,44H,10,16,18-22H2,1H3,(H,40,45)(H,41,48)(H,43,47)(H4,37,38,39)/t23-,27-,28-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
200n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 120...


Eur J Med Chem 129: 110-123 (2017)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
410n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human Dopamine D1 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 191n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 692n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 190n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 690n/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Concentration required for the inhibitory activity against human Farnesyltransferase


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50236957
PNG
(CHEMBL4072821)
Show SMILES CCOC(=O)c1cc2cc(OCCCCN3CCN(CC3)c3ccccc3OC)ccn2n1
Show InChI InChI=1S/C25H32N4O4/c1-3-32-25(30)22-19-20-18-21(10-12-29(20)26-22)33-17-7-6-11-27-13-15-28(16-14-27)23-8-4-5-9-24(23)31-2/h4-5,8-10,12,18-19H,3,6-7,11,13-17H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...


J Med Chem 60: 2908-2929 (2017)

More data for this
Ligand-Target Pair