BindingDB logo
myBDB logout

6 similar compounds to monomer 50056037

Compile data set for download or QSAR
Wt: 318.7
BDBM25785
Purchase
Wt: 266.3
BDBM25772
Purchase
Wt: 361.8
BDBM50329408
Wt: 341.4
BDBM50329409
Wt: 352.4
BDBM50329411
Wt: 377.4
BDBM50010516

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 25785,25772,50329408,50329409,50329411,50010516   
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
Dopamine receptor


(RAT)
BDBM50329408
PNG
(CHEMBL1270227 | N-[2-[4-(4-Chlorophenyl)piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.76n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329409
PNG
(CHEMBL1270322 | N-[2-[4-(4-Methylphenyl)piperazin-...)
Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O/c1-16-2-8-19(9-3-16)24-14-12-23(13-15-24)11-10-22-20(25)17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3,(H,22,25)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.64n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329411
PNG
(CHEMBL1270422 | N-[2-[4-(4-Cyanophenyl)piperazin-1...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21FN4O/c21-18-5-3-17(4-6-18)20(26)23-9-10-24-11-13-25(14-12-24)19-7-1-16(15-22)2-8-19/h1-8H,9-14H2,(H,23,26)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32.7n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50010516
PNG
(CHEMBL3264377)
Show SMILES Fc1ccc(cc1)N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C23H24FN3O/c24-21-7-9-22(10-8-21)27-15-13-26(14-16-27)12-11-25-23(28)20-6-5-18-3-1-2-4-19(18)17-20/h1-10,17H,11-16H2,(H,25,28)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis


ACS Med Chem Lett 5: 358-62 (2014)


Article DOI: 10.1021/ml4004843
BindingDB Entry DOI: 10.7270/Q2QZ2CHT
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM25772
PNG
(1-benzoyl-4-phenylpiperazine | piperazine, a1)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H18N2O/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h1-10H,11-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.89E+4n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...


Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Enoyl-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM25785
PNG
(1-(3-chlorophenyl)-4-[(4-fluorophenyl)carbonyl]pip...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClFN2O/c18-14-2-1-3-16(12-14)20-8-10-21(11-9-20)17(22)13-4-6-15(19)7-5-13/h1-7,12H,8-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.74E+3n/an/an/an/a6.823



Incyte Corporation



Assay Description
The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...


Bioorg Med Chem 15: 6649-58 (2007)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q24M92VH
More data for this
Ligand-Target Pair