BindingDB logo
myBDB logout

19 similar compounds to monomer 50213866

Compile data set for download or QSAR
Wt: 295.4
BDBM50213839
Wt: 365.9
BDBM50213851
Wt: 584.7
BDBM50213872
Wt: 317.4
BDBM50213849
Wt: 376.3
BDBM50213867
Wt: 479.4
BDBM50213834
Wt: 752.9
BDBM50213827
Wt: 335.4
BDBM50213861
Wt: 566.7
BDBM50213869
Wt: 483.4
BDBM50213832
Wt: 452.3
BDBM50213835
Wt: 321.3
BDBM50213878
Wt: 275.3
BDBM50213841
Wt: 347.4
BDBM50213854
Wt: 396.3
BDBM50213857
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50213839,50213851,50213872,50213849,50213867,50213834,50213827,50213861,50213869,50213832,50213835,50213878,50213841,50213854,50213857   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50213834
PNG
(CHEMBL542044)
Show SMILES Cl.Cl.CCCc1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
Show InChI InChI=1/C23H30N6O.2ClH/c1-3-8-22-26-27-28-29(22)19-12-13-21(30-2)18(15-19)16-25-20-11-7-14-24-23(20)17-9-5-4-6-10-17;;/h4-6,9-10,12-13,15,20,23-25H,3,7-8,11,14,16H2,1-2H3;2*1H/t20-,23-;;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

0.0398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chinese hamster ovary cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BR8VB5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50213832
PNG
(CHEMBL545594)
Show SMILES Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1SC
Show InChI InChI=1/C21H26N6OS.2ClH/c1-28-19-11-10-17(27-21(29-2)24-25-26-27)13-16(19)14-23-18-9-6-12-22-20(18)15-7-4-3-5-8-15;;/h3-5,7-8,10-11,13,18,20,22-23H,6,9,12,14H2,1-2H3;2*1H/t18-,20-;;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

0.0398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chinese hamster ovary cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BR8VB5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50213835
PNG
(CHEMBL544660)
Show SMILES Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1N
Show InChI InChI=1/C20H25N7O.2ClH/c1-28-18-10-9-16(27-20(21)24-25-26-27)12-15(18)13-23-17-8-5-11-22-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,22-23H,5,8,11,13H2,1H3,(H2,21,24,26);2*1H/t17-,19-;;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chinese hamster ovary cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BR8VB5
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213857
PNG
(CHEMBL277669)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H30BrN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50213841
PNG
(CHEMBL11148)
Show SMILES CC(=O)NCCC1CCCc2cc3OCCOc3cc12
Show InChI InChI=1/C16H21NO3/c1-11(18)17-6-5-12-3-2-4-13-9-15-16(10-14(12)13)20-8-7-19-15/h9-10,12H,2-8H2,1H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

62n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN18CT
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213861
PNG
(CHEMBL277937)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H30FN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213851
PNG
(CHEMBL278288)
Show SMILES CC(C)(C)C(=O)NCCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-20(2,3)19(25)22-11-5-4-6-12-23-13-15-24(16-14-23)18-9-7-17(21)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213854
PNG
(CHEMBL20819)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-5-6-12-22-13-15-23(16-14-22)17-7-9-18(25-4)10-8-17/h7-10H,5-6,11-16H2,1-4H3,(H,21,24)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213849
PNG
(CHEMBL21035)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H31N3O/c1-19(2,3)18(23)20-11-7-8-12-21-13-15-22(16-14-21)17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3,(H,20,23)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213851
PNG
(CHEMBL278288)
Show SMILES CC(C)(C)C(=O)NCCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-20(2,3)19(25)22-11-5-4-6-12-23-13-15-24(16-14-23)18-9-7-17(21)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213849
PNG
(CHEMBL21035)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H31N3O/c1-19(2,3)18(23)20-11-7-8-12-21-13-15-22(16-14-21)17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3,(H,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213857
PNG
(CHEMBL277669)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H30BrN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

1.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213861
PNG
(CHEMBL277937)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H30FN3O/c1-19(2,3)18(24)21-10-4-5-11-22-12-14-23(15-13-22)17-8-6-16(20)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,21,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

2.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213854
PNG
(CHEMBL20819)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C20H33N3O2/c1-20(2,3)19(24)21-11-5-6-12-22-13-15-23(16-14-22)17-7-9-18(25-4)10-8-17/h7-10H,5-6,11-16H2,1-4H3,(H,21,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213878
PNG
(CHEMBL301294)
Show SMILES CN(C)Cc1cc(OC\C=C/CN=c2c(O)c(O)c2=N)cs1
Show InChI InChI=1S/C15H19N3O3S/c1-18(2)8-11-7-10(9-22-11)21-6-4-3-5-17-13-12(16)14(19)15(13)20/h3-4,7,9,16,19-20H,5-6,8H2,1-2H3/b4-3-,16-12?,17-13-
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 0.220n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP773S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50213839
PNG
(CHEMBL98529)
Show SMILES CCCCCCOc1nsnc1C1CN2CCC1CC2
Show InChI InChI=1/C15H25N3OS/c1-2-3-4-5-10-19-15-14(16-20-17-15)13-11-18-8-6-12(13)7-9-18/h12-13H,2-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Somatostatin receptor


(RAT)
BDBM50213872
PNG
(CHEMBL47019)
Show SMILES NCCCCCCN[C@H]1CN(CCc2c[nH]c3ccccc23)[C@@H](CO)C(OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C36H48N4O3/c37-20-11-1-2-12-21-38-33-24-40(22-19-30-23-39-32-18-10-9-17-31(30)32)34(25-41)36(43-27-29-15-7-4-8-16-29)35(33)42-26-28-13-5-3-6-14-28/h3-10,13-18,23,33-36,38-39,41H,1-2,11-12,19-22,24-27,37H2/t33-,34-,35+,36?/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its potency to displace 3-[125I]- - Tyr11-SRIF-14 from somatostatin receptor on membranes of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q22B9166
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50213867
PNG
(CHEMBL329303)
Show SMILES COC(=O)c1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C20H16N4O4/c1-28-19(26)14-8-5-9-15(10-14)24-17-16(21-12-22-17)18(25)23(20(24)27)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.08E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE4


Bioorg Med Chem Lett 8: 2925-30 (1998)


Article DOI: 10.1016/s0960-894x(98)00524-1
BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50213827
PNG
(CHEMBL351834)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C42H52N6O5S/c1-42(2,3)47-41(53)36-21-29-13-6-7-14-30(29)23-48(36)24-37(49)35(25-54-31-18-16-26-10-4-5-12-28(26)20-31)46-40(52)34(22-38(43)50)45-39(51)33-19-17-27-11-8-9-15-32(27)44-33/h4-5,8-12,15-20,29-30,34-37,49H,6-7,13-14,21-25H2,1-3H3,(H2,43,50)(H,45,51)(H,46,52)(H,47,53)/t29-,30+,34-,35-,36-,37+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a<0.25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 5: 715-720 (1995)


Article DOI: 10.1016/0960-894X(95)00101-X
BindingDB Entry DOI: 10.7270/Q2K937HR
More data for this
Ligand-Target Pair
Somatostatin receptor


(RAT)
BDBM50213869
PNG
(CHEMBL3037859)
Show SMILES NCCCCCCN1CC2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H](C1)N2CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C36H46N4O2/c37-20-11-1-2-12-21-39-24-33-35(41-26-28-13-5-3-6-14-28)36(42-27-29-15-7-4-8-16-29)34(25-39)40(33)22-19-30-23-38-32-18-10-9-17-31(30)32/h3-10,13-18,23,33-36,38H,1-2,11-12,19-22,24-27,37H2/t33-,34?,35+,36+/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its potency to displace 3-[125I]- - Tyr11-SRIF-14 from somatostatin receptor on membranes of rat cerebral cortex


Citation and Details

BindingDB Entry DOI: 10.7270/Q22B9166
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50213867
PNG
(CHEMBL329303)
Show SMILES COC(=O)c1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C20H16N4O4/c1-28-19(26)14-8-5-9-15(10-14)24-17-16(21-12-22-17)18(25)23(20(24)27)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding


Bioorg Med Chem Lett 8: 2925-30 (1998)


Article DOI: 10.1016/s0960-894x(98)00524-1
BindingDB Entry DOI: 10.7270/Q2Z89FKG
More data for this
Ligand-Target Pair