BindingDB logo
myBDB logout

PubMed code 28689977

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin K


(Homo sapiens (Human))		BDBM50260351
PNG
(CHEMBL4086667)
Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C30H42N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h7-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50260350
PNG
(CHEMBL4078089)
Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1
Show InChI InChI=1S/C27H36N6/c1-22(2)32-17-15-31(16-18-32)14-6-7-23-8-10-24(11-9-23)20-33(21-27(3,4)5)26-12-13-29-25(19-28)30-26/h8-13,22H,14-18,20-21H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin K

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260329
PNG
(CHEMBL4098400)
Show SMILES Cc1cc(nc(C)n1)N(Cc1ccc(cc1)-n1cc(CCN2CCC(O)CC2)nn1)CC(C)(C)C
Show InChI InChI=1S/C27H39N7O/c1-20-16-26(29-21(2)28-20)33(19-27(3,4)5)17-22-6-8-24(9-7-22)34-18-23(30-31-34)10-13-32-14-11-25(35)12-15-32/h6-9,16,18,25,35H,10-15,17,19H2,1-5H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM123515
PNG
(US8748435, 40)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260348
PNG
(CHEMBL4068102)
Show SMILES COc1nccc(n1)N(Cc1ccc(cc1)C#CCN1CCN(CC1)C(C)C)CC(C)(C)C
Show InChI InChI=1S/C27H39N5O/c1-22(2)31-18-16-30(17-19-31)15-7-8-23-9-11-24(12-10-23)20-32(21-27(3,4)5)25-13-14-28-26(29-25)33-6/h9-14,22H,15-21H2,1-6H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260330
PNG
(CHEMBL4059983)
Show SMILES CN(C)CCCCNC(=O)c1ccc(CN(CC(C)(C)C)c2cc(C)nc(C)n2)cc1
Show InChI InChI=1S/C25H39N5O/c1-19-16-23(28-20(2)27-19)30(18-25(3,4)5)17-21-10-12-22(13-11-21)24(31)26-14-8-9-15-29(6)7/h10-13,16H,8-9,14-15,17-18H2,1-7H3,(H,26,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260329
PNG
(CHEMBL4098400)
Show SMILES Cc1cc(nc(C)n1)N(Cc1ccc(cc1)-n1cc(CCN2CCC(O)CC2)nn1)CC(C)(C)C
Show InChI InChI=1S/C27H39N7O/c1-20-16-26(29-21(2)28-20)33(19-27(3,4)5)17-22-6-8-24(9-7-22)34-18-23(30-31-34)10-13-32-14-11-25(35)12-15-32/h6-9,16,18,25,35H,10-15,17,19H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260336
PNG
(CHEMBL4080377)
Show SMILES CN(C)CCCCC(=O)Nc1ccc(CN(CC(C)(C)C)c2cc(C)nc(C)n2)cc1
Show InChI InChI=1S/C25H39N5O/c1-19-16-23(27-20(2)26-19)30(18-25(3,4)5)17-21-11-13-22(14-12-21)28-24(31)10-8-9-15-29(6)7/h11-14,16H,8-10,15,17-18H2,1-7H3,(H,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260349
PNG
(CHEMBL4065230)
Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(Cl)n3)cc2)CC1
Show InChI InChI=1S/C26H36ClN5/c1-21(2)31-17-15-30(16-18-31)14-6-7-22-8-10-23(11-9-22)19-32(20-26(3,4)5)24-12-13-28-25(27)29-24/h8-13,21H,14-20H2,1-5H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260331
PNG
(CHEMBL4088230)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(CN(CC(C)(C)C)c3cc(C)nc(C)n3)cc2)CC1
Show InChI InChI=1S/C28H43N5/c1-22(2)32-17-15-31(16-18-32)14-8-9-25-10-12-26(13-11-25)20-33(21-28(5,6)7)27-19-23(3)29-24(4)30-27/h8-13,19,22H,14-18,20-21H2,1-7H3/b9-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260353
PNG
(CHEMBL4067930)
Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(Cl)n1
Show InChI InChI=1S/C29H42ClN5/c1-29(2,3)23-35(27-13-16-31-28(30)32-27)22-25-11-9-24(10-12-25)8-7-17-33-20-14-26(15-21-33)34-18-5-4-6-19-34/h7-13,16,26H,4-6,14-15,17-23H2,1-3H3/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260352
PNG
(CHEMBL4087637)
Show SMILES Cc1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
Show InChI InChI=1S/C30H45N5/c1-25-31-17-14-29(32-25)35(24-30(2,3)4)23-27-12-10-26(11-13-27)9-8-18-33-21-15-28(16-22-33)34-19-6-5-7-20-34/h8-14,17,28H,5-7,15-16,18-24H2,1-4H3/b9-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260345
PNG
(CHEMBL4105520)
Show SMILES Cc1cc(nc(C)n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
Show InChI InChI=1S/C31H47N5/c1-25-22-30(33-26(2)32-25)36(24-31(3,4)5)23-28-13-11-27(12-14-28)10-9-17-34-20-15-29(16-21-34)35-18-7-6-8-19-35/h9-14,22,29H,6-8,15-21,23-24H2,1-5H3/b10-9+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260335
PNG
(CHEMBL4060989)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(Cn3c(C)nc4c(C)cc(C)nc34)cc2)CC1
Show InChI InChI=1S/C26H35N5/c1-19(2)30-15-13-29(14-16-30)12-6-7-23-8-10-24(11-9-23)18-31-22(5)28-25-20(3)17-21(4)27-26(25)31/h6-11,17,19H,12-16,18H2,1-5H3/b7-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260329
PNG
(CHEMBL4098400)
Show SMILES Cc1cc(nc(C)n1)N(Cc1ccc(cc1)-n1cc(CCN2CCC(O)CC2)nn1)CC(C)(C)C
Show InChI InChI=1S/C27H39N7O/c1-20-16-26(29-21(2)28-20)33(19-27(3,4)5)17-22-6-8-24(9-7-22)34-18-23(30-31-34)10-13-32-14-11-25(35)12-15-32/h6-9,16,18,25,35H,10-15,17,19H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260351
PNG
(CHEMBL4086667)
Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C30H42N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h7-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins follo...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260330
PNG
(CHEMBL4059983)
Show SMILES CN(C)CCCCNC(=O)c1ccc(CN(CC(C)(C)C)c2cc(C)nc(C)n2)cc1
Show InChI InChI=1S/C25H39N5O/c1-19-16-23(28-20(2)27-19)30(18-25(3,4)5)17-21-10-12-22(13-11-21)24(31)26-14-8-9-15-29(6)7/h10-13,16H,8-9,14-15,17-18H2,1-7H3,(H,26,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260346
PNG
(CHEMBL4095336)
Show SMILES COc1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
Show InChI InChI=1S/C30H45N5O/c1-30(2,3)24-35(28-14-17-31-29(32-28)36-4)23-26-12-10-25(11-13-26)9-8-18-33-21-15-27(16-22-33)34-19-6-5-7-20-34/h8-14,17,27H,5-7,15-16,18-24H2,1-4H3/b9-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260333
PNG
(CHEMBL4063894)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C28H39N5/c1-6-8-26-30-27-22(4)19-23(5)29-28(27)33(26)20-25-12-10-24(11-13-25)9-7-14-31-15-17-32(18-16-31)21(2)3/h7,9-13,19,21H,6,8,14-18,20H2,1-5H3/b9-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260336
PNG
(CHEMBL4080377)
Show SMILES CN(C)CCCCC(=O)Nc1ccc(CN(CC(C)(C)C)c2cc(C)nc(C)n2)cc1
Show InChI InChI=1S/C25H39N5O/c1-19-16-23(27-20(2)26-19)30(18-25(3,4)5)17-21-11-13-22(14-12-21)28-24(31)10-8-9-15-29(6)7/h11-14,16H,8-10,15,17-18H2,1-7H3,(H,28,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM123515
PNG
(US8748435, 40)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260347
PNG
(CHEMBL4090034)
Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3cc(C)nc(C)n3)cc2)CC1
Show InChI InChI=1S/C28H41N5/c1-22(2)32-17-15-31(16-18-32)14-8-9-25-10-12-26(13-11-25)20-33(21-28(5,6)7)27-19-23(3)29-24(4)30-27/h10-13,19,22H,14-18,20-21H2,1-7H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM123515
PNG
(US8748435, 40)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 930n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor (unknown origin)

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM123515
PNG
(US8748435, 40)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from recombinant human ERG expressed in HEK293 cells

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260330
PNG
(CHEMBL4059983)
Show SMILES CN(C)CCCCNC(=O)c1ccc(CN(CC(C)(C)C)c2cc(C)nc(C)n2)cc1
Show InChI InChI=1S/C25H39N5O/c1-19-16-23(28-20(2)27-19)30(18-25(3,4)5)17-21-10-12-22(13-11-21)24(31)26-14-8-9-15-29(6)7/h10-13,16H,8-9,14-15,17-18H2,1-7H3,(H,26,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM123515
PNG
(US8748435, 40)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260331
PNG
(CHEMBL4088230)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(CN(CC(C)(C)C)c3cc(C)nc(C)n3)cc2)CC1
Show InChI InChI=1S/C28H43N5/c1-22(2)32-17-15-31(16-18-32)14-8-9-25-10-12-26(13-11-25)20-33(21-28(5,6)7)27-19-23(3)29-24(4)30-27/h8-13,19,22H,14-18,20-21H2,1-7H3/b9-8+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260331
PNG
(CHEMBL4088230)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(CN(CC(C)(C)C)c3cc(C)nc(C)n3)cc2)CC1
Show InChI InChI=1S/C28H43N5/c1-22(2)32-17-15-31(16-18-32)14-8-9-25-10-12-26(13-11-25)20-33(21-28(5,6)7)27-19-23(3)29-24(4)30-27/h8-13,19,22H,14-18,20-21H2,1-7H3/b9-8+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260335
PNG
(CHEMBL4060989)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(Cn3c(C)nc4c(C)cc(C)nc34)cc2)CC1
Show InChI InChI=1S/C26H35N5/c1-19(2)30-15-13-29(14-16-30)12-6-7-23-8-10-24(11-9-23)18-31-22(5)28-25-20(3)17-21(4)27-26(25)31/h6-11,17,19H,12-16,18H2,1-5H3/b7-6+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 1.84E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260350
PNG
(CHEMBL4078089)
Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1
Show InChI InChI=1S/C27H36N6/c1-22(2)32-17-15-31(16-18-32)14-6-7-23-8-10-24(11-9-23)20-33(21-27(3,4)5)26-12-13-29-25(19-28)30-26/h8-13,22H,14-18,20-21H2,1-5H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.93E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins follo...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260336
PNG
(CHEMBL4080377)
Show SMILES CN(C)CCCCC(=O)Nc1ccc(CN(CC(C)(C)C)c2cc(C)nc(C)n2)cc1
Show InChI InChI=1S/C25H39N5O/c1-19-16-23(27-20(2)26-19)30(18-25(3,4)5)17-21-11-13-22(14-12-21)28-24(31)10-8-9-15-29(6)7/h11-14,16H,8-10,15,17-18H2,1-7H3,(H,28,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.99E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260337
PNG
(CHEMBL4072373)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(Cn3c(nc4c(C)cc(C)nc34)C(C)C)cc2)CC1
Show InChI InChI=1S/C28H39N5/c1-20(2)27-30-26-22(5)18-23(6)29-28(26)33(27)19-25-11-9-24(10-12-25)8-7-13-31-14-16-32(17-15-31)21(3)4/h7-12,18,20-21H,13-17,19H2,1-6H3/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.44E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260344
PNG
(CHEMBL4077221)
Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1cc(ncn1)C(F)(F)F
Show InChI InChI=1S/C30H42F3N5/c1-29(2,3)22-38(28-20-27(30(31,32)33)34-23-35-28)21-25-11-9-24(10-12-25)8-7-15-36-18-13-26(14-19-36)37-16-5-4-6-17-37/h7-12,20,23,26H,4-6,13-19,21-22H2,1-3H3/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.97E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260333
PNG
(CHEMBL4063894)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C28H39N5/c1-6-8-26-30-27-22(4)19-23(5)29-28(27)33(26)20-25-12-10-24(11-13-25)9-7-14-31-15-17-32(18-16-31)21(2)3/h7,9-13,19,21H,6,8,14-18,20H2,1-5H3/b9-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.31E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260342
PNG
(CHEMBL4066364)
Show SMILES CN(C)c1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
Show InChI InChI=1S/C31H48N6/c1-31(2,3)25-37(29-15-18-32-30(33-29)34(4)5)24-27-13-11-26(12-14-27)10-9-19-35-22-16-28(17-23-35)36-20-7-6-8-21-36/h9-15,18,28H,6-8,16-17,19-25H2,1-5H3/b10-9+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260333
PNG
(CHEMBL4063894)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C28H39N5/c1-6-8-26-30-27-22(4)19-23(5)29-28(27)33(26)20-25-12-10-24(11-13-25)9-7-14-31-15-17-32(18-16-31)21(2)3/h7,9-13,19,21H,6,8,14-18,20H2,1-5H3/b9-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.22E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260335
PNG
(CHEMBL4060989)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(Cn3c(C)nc4c(C)cc(C)nc34)cc2)CC1
Show InChI InChI=1S/C26H35N5/c1-19(2)30-15-13-29(14-16-30)12-6-7-23-8-10-24(11-9-23)18-31-22(5)28-25-20(3)17-21(4)27-26(25)31/h6-11,17,19H,12-16,18H2,1-5H3/b7-6+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260332
PNG
(CHEMBL4095465)
Show SMILES CC(C)Cc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C29H41N5/c1-21(2)18-27-31-28-23(5)19-24(6)30-29(28)34(27)20-26-11-9-25(10-12-26)8-7-13-32-14-16-33(17-15-32)22(3)4/h7-12,19,21-22H,13-18,20H2,1-6H3/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.31E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260328
PNG
(CHEMBL4090675)
Show SMILES CCc1nc2cccnc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C25H33N5/c1-4-24-27-23-8-5-13-26-25(23)30(24)19-22-11-9-21(10-12-22)7-6-14-28-15-17-29(18-16-28)20(2)3/h5-13,20H,4,14-19H2,1-3H3/b7-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260338
PNG
(CHEMBL4069664)
Show SMILES CCc1cc2c(C)nc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H37N5/c1-6-25-18-26-21(4)28-22(5)29-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260337
PNG
(CHEMBL4072373)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(Cn3c(nc4c(C)cc(C)nc34)C(C)C)cc2)CC1
Show InChI InChI=1S/C28H39N5/c1-20(2)27-30-26-22(5)18-23(6)29-28(26)33(27)19-25-11-9-24(10-12-25)8-7-13-31-14-16-32(17-15-31)21(3)4/h7-12,18,20-21H,13-17,19H2,1-6H3/b8-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260337
PNG
(CHEMBL4072373)
Show SMILES CC(C)N1CCN(C\C=C\c2ccc(Cn3c(nc4c(C)cc(C)nc34)C(C)C)cc2)CC1
Show InChI InChI=1S/C28H39N5/c1-20(2)27-30-26-22(5)18-23(6)29-28(26)33(27)19-25-11-9-24(10-12-25)8-7-13-31-14-16-32(17-15-31)21(3)4/h7-12,18,20-21H,13-17,19H2,1-6H3/b8-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.72E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260332
PNG
(CHEMBL4095465)
Show SMILES CC(C)Cc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C29H41N5/c1-21(2)18-27-31-28-23(5)19-24(6)30-29(28)34(27)20-26-11-9-25(10-12-26)8-7-13-32-14-16-33(17-15-32)22(3)4/h7-12,19,21-22H,13-18,20H2,1-6H3/b8-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260332
PNG
(CHEMBL4095465)
Show SMILES CC(C)Cc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C29H41N5/c1-21(2)18-27-31-28-23(5)19-24(6)30-29(28)34(27)20-26-11-9-25(10-12-26)8-7-13-32-14-16-33(17-15-32)22(3)4/h7-12,19,21-22H,13-18,20H2,1-6H3/b8-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Mus musculus)		BDBM50260328
PNG
(CHEMBL4090675)
Show SMILES CCc1nc2cccnc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C25H33N5/c1-4-24-27-23-8-5-13-26-25(23)30(24)19-22-11-9-21(10-12-22)7-6-14-28-15-17-29(18-16-28)20(2)3/h5-13,20H,4,14-19H2,1-3H3/b7-6+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by ...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Rattus norvegicus)		BDBM50260328
PNG
(CHEMBL4090675)
Show SMILES CCc1nc2cccnc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C25H33N5/c1-4-24-27-23-8-5-13-26-25(23)30(24)19-22-11-9-21(10-12-22)7-6-14-28-15-17-29(18-16-28)20(2)3/h5-13,20H,4,14-19H2,1-3H3/b7-6+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cA...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260350
PNG
(CHEMBL4078089)
Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1
Show InChI InChI=1S/C27H36N6/c1-22(2)32-17-15-31(16-18-32)14-6-7-23-8-10-24(11-9-23)20-33(21-27(3,4)5)26-12-13-29-25(19-28)30-26/h8-13,22H,14-18,20-21H2,1-5H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a<2.30E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50260351
PNG
(CHEMBL4086667)
Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C30H42N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h7-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3/b8-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a<2.30E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
Psychosine receptor


(Homo sapiens (Human))		BDBM50260351
PNG
(CHEMBL4086667)
Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(n1)C#N
Show InChI InChI=1S/C30H42N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h7-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3/b8-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.30E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human TDAG8 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation preincubated for 10 mins fo...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
Psychosine receptor


(Homo sapiens (Human))		BDBM50260350
PNG
(CHEMBL4078089)
Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1
Show InChI InChI=1S/C27H36N6/c1-22(2)32-17-15-31(16-18-32)14-6-7-23-8-10-24(11-9-23)20-33(21-27(3,4)5)26-12-13-29-25(19-28)30-26/h8-13,22H,14-18,20-21H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human TDAG8 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation preincubated for 10 mins fo...

Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%