BindingDB logo
myBDB logout

6 similar compounds to monomer 50187377

Wt: 410.5
BDBM50187379
Wt: 424.6
BDBM50187383
Wt: 476.6
BDBM50187385
Wt: 476.6
BDBM50187389
Wt: 464.6
BDBM50187394
Wt: 436.6
BDBM50187397

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50187379,50187383,50187385,50187389,50187394,50187397   
Target
(Institution)
LigandTarget
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
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187394
PNG
(CHEMBL207220 | N-(3-{4-[4-(cyclohexylmethanesulfon...)
Show SMILES CN(CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1)S(=O)(=O)CC1CCCCC1
Show InChI InChI=1S/C24H40N4O3S/c1-21(29)25-23-11-8-12-24(19-23)28-17-15-27(16-18-28)14-7-6-13-26(2)32(30,31)20-22-9-4-3-5-10-22/h8,11-12,19,22H,3-7,9-10,13-18,20H2,1-2H3,(H,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187389
PNG
(CHEMBL377697 | cyclopropanecarboxylic acid {3-[4-(...)
Show SMILES O=C(Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1)C1CC1
Show InChI InChI=1S/C25H40N4O3S/c30-25(22-11-12-22)27-23-9-6-10-24(19-23)29-17-15-28(16-18-29)14-5-4-13-26-33(31,32)20-21-7-2-1-3-8-21/h6,9-10,19,21-22,26H,1-5,7-8,11-18,20H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187379
PNG
(CHEMBL379984 | N-(3-{4-[4-(2-methyl-propane-1-sulf...)
Show SMILES CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H34N4O3S/c1-17(2)16-28(26,27)21-9-4-5-10-23-11-13-24(14-12-23)20-8-6-7-19(15-20)22-18(3)25/h6-8,15,17,21H,4-5,9-14,16H2,1-3H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187383
PNG
(CHEMBL207478 | N-[3-(4-{4-[methyl-(2-methyl-propan...)
Show SMILES CC(C)CS(=O)(=O)N(C)CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C21H36N4O3S/c1-18(2)17-29(27,28)23(4)10-5-6-11-24-12-14-25(15-13-24)21-9-7-8-20(16-21)22-19(3)26/h7-9,16,18H,5-6,10-15,17H2,1-4H3,(H,22,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
9.70n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187385
PNG
(CHEMBL211012 | N-{3-[4-(1-Cyclohexylmethanesulfony...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C25H40N4O3S/c1-21(30)26-24-8-5-9-25(18-24)28-16-14-27(15-17-28)19-22-10-12-29(13-11-22)33(31,32)20-23-6-3-2-4-7-23/h5,8-9,18,22-23H,2-4,6-7,10-17,19-20H2,1H3,(H,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187397
PNG
(CHEMBL266832 | N-(3-(4-(4-(cyclohexylsulfonylamino...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C22H36N4O3S/c1-19(27)24-20-8-7-9-21(18-20)26-16-14-25(15-17-26)13-6-5-12-23-30(28,29)22-10-3-2-4-11-22/h7-9,18,22-23H,2-6,10-17H2,1H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
40n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)

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


(Homo sapiens (Human))
BDBM50187379
PNG
(CHEMBL379984 | N-(3-{4-[4-(2-methyl-propane-1-sulf...)
Show SMILES CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H34N4O3S/c1-17(2)16-28(26,27)21-9-4-5-10-23-11-13-24(14-12-23)20-8-6-7-19(15-20)22-18(3)25/h6-8,15,17,21H,4-5,9-14,16H2,1-3H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to D2 receptor by radioligand binding assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50187379
PNG
(CHEMBL379984 | N-(3-{4-[4-(2-methyl-propane-1-sulf...)
Show SMILES CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H34N4O3S/c1-17(2)16-28(26,27)21-9-4-5-10-23-11-13-24(14-12-23)20-8-6-7-19(15-20)22-18(3)25/h6-8,15,17,21H,4-5,9-14,16H2,1-3H3,(H,22,25)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50187394
PNG
(CHEMBL207220 | N-(3-{4-[4-(cyclohexylmethanesulfon...)
Show SMILES CN(CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1)S(=O)(=O)CC1CCCCC1
Show InChI InChI=1S/C24H40N4O3S/c1-21(29)25-23-11-8-12-24(19-23)28-17-15-27(16-18-28)14-7-6-13-26(2)32(30,31)20-22-9-4-3-5-10-22/h8,11-12,19,22H,3-7,9-10,13-18,20H2,1-2H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50187389
PNG
(CHEMBL377697 | cyclopropanecarboxylic acid {3-[4-(...)
Show SMILES O=C(Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1)C1CC1
Show InChI InChI=1S/C25H40N4O3S/c30-25(22-11-12-22)27-23-9-6-10-24(19-23)29-17-15-28(16-18-29)14-5-4-13-26-33(31,32)20-21-7-2-1-3-8-21/h6,9-10,19,21-22,26H,1-5,7-8,11-18,20H2,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187383
PNG
(CHEMBL207478 | N-[3-(4-{4-[methyl-(2-methyl-propan...)
Show SMILES CC(C)CS(=O)(=O)N(C)CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C21H36N4O3S/c1-18(2)17-29(27,28)23(4)10-5-6-11-24-12-14-25(15-13-24)21-9-7-8-20(16-21)22-19(3)26/h7-9,16,18H,5-6,10-15,17H2,1-4H3,(H,22,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT1A receptor by Gi-[35S]GTPgammaS binding assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50187379
PNG
(CHEMBL379984 | N-(3-{4-[4-(2-methyl-propane-1-sulf...)
Show SMILES CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H34N4O3S/c1-17(2)16-28(26,27)21-9-4-5-10-23-11-13-24(14-12-23)20-8-6-7-19(15-20)22-18(3)25/h6-8,15,17,21H,4-5,9-14,16H2,1-3H3,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187379
PNG
(CHEMBL379984 | N-(3-{4-[4-(2-methyl-propane-1-sulf...)
Show SMILES CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C20H34N4O3S/c1-17(2)16-28(26,27)21-9-4-5-10-23-11-13-24(14-12-23)20-8-6-7-19(15-20)22-18(3)25/h6-8,15,17,21H,4-5,9-14,16H2,1-3H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 60n/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT1A receptor by Gi-[35S]GTPgammaS binding assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50187394
PNG
(CHEMBL207220 | N-(3-{4-[4-(cyclohexylmethanesulfon...)
Show SMILES CN(CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1)S(=O)(=O)CC1CCCCC1
Show InChI InChI=1S/C24H40N4O3S/c1-21(29)25-23-11-8-12-24(19-23)28-17-15-27(16-18-28)14-7-6-13-26(2)32(30,31)20-22-9-4-3-5-10-22/h8,11-12,19,22H,3-7,9-10,13-18,20H2,1-2H3,(H,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/an/a 3.60n/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT1A receptor by Gi-[35S]GTPgammaS binding assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50187383
PNG
(CHEMBL207478 | N-[3-(4-{4-[methyl-(2-methyl-propan...)
Show SMILES CC(C)CS(=O)(=O)N(C)CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C21H36N4O3S/c1-18(2)17-29(27,28)23(4)10-5-6-11-24-12-14-25(15-13-24)21-9-7-8-20(16-21)22-19(3)26/h7-9,16,18H,5-6,10-15,17H2,1-4H3,(H,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50187385
PNG
(CHEMBL211012 | N-{3-[4-(1-Cyclohexylmethanesulfony...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C25H40N4O3S/c1-21(30)26-24-8-5-9-25(18-24)28-16-14-27(15-17-28)19-22-10-12-29(13-11-22)33(31,32)20-23-6-3-2-4-7-23/h5,8-9,18,22-23H,2-4,6-7,10-17,19-20H2,1H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay


J Med Chem 49: 3116-35 (2006)

More data for this
Ligand-Target Pair