BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1823 hits with Last Name = 'tang' and Initial = 'w'   
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
Ghrelin receptor


(Ovis aries)		BDBM50222885
PNG
(6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.470n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.860n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222875
PNG
(6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidi...)
Show SMILES Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1
Show InChI InChI=1S/C27H26FN3O2/c1-18-5-2-3-7-23(18)26-30-25-13-12-22(33-21-10-8-20(28)9-11-21)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222859
PNG
(6-(4-chlorophenyl)-3-{[(3S)-1-ethylpiperidin-3-yl]...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222884
PNG
(6-(4-chlorophenyl)-3-[(-1-ethylpiperidin-3-yl)meth...)
Show SMILES CCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222873
PNG
(6-(4-chlorophenyl)-3-[(1-isopropylpiperidin-3-yl)m...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32ClN3O/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-12-24(17-27(28)30(34)35)23-10-13-25(31)14-11-23/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222863
PNG
(6-(4-chlorophenyl)-3-[(1-cyclobutylpiperidin-3-yl)...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(C1)C1CCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H32ClN3O/c1-21-6-2-3-10-27(21)30-33-29-16-13-24(23-11-14-25(32)15-12-23)18-28(29)31(36)35(30)20-22-7-5-17-34(19-22)26-8-4-9-26/h2-3,6,10-16,18,22,26H,4-5,7-9,17,19-20H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.5n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222858
PNG
(6-(4-fluorophenoxy)-2-isopropyl-3-[(1-isopropylpip...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C(C)C)C1
Show InChI InChI=1S/C26H32FN3O2/c1-17(2)25-28-24-12-11-22(32-21-9-7-20(27)8-10-21)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222879
PNG
(6-(4-chlorophenyl)-3-{[1-(2-methoxyethyl)piperidin...)
Show SMILES COCCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32ClN3O2/c1-21-6-3-4-8-26(21)29-32-28-14-11-24(23-9-12-25(31)13-10-23)18-27(28)30(35)34(29)20-22-7-5-15-33(19-22)16-17-36-2/h3-4,6,8-14,18,22H,5,7,15-17,19-20H2,1-2H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222862
PNG
(6-(4-chlorophenyl)-2-(2-methylphenyl)-3-(piperidin...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCNC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN3O/c1-18-5-2-3-7-23(18)26-30-25-13-10-21(20-8-11-22(28)12-9-20)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222881
PNG
((S)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3/t17-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222853
PNG
(6-(4-chlorophenyl)-3-{[1-(2-fluoroethyl)piperidin-...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(CCF)C1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClFN3O/c1-20-5-2-3-7-25(20)28-32-27-13-10-23(22-8-11-24(30)12-9-22)17-26(27)29(35)34(28)19-21-6-4-15-33(18-21)16-14-31/h2-3,5,7-13,17,21H,4,6,14-16,18-19H2,1H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222887
PNG
((S)-6-(4-chlorophenyl)-3-((1-ethylpiperidin-3-yl)m...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C29H27ClF3N3O/c1-2-35-15-3-4-19(17-35)18-36-27(21-5-10-23(11-6-21)29(31,32)33)34-26-14-9-22(16-25(26)28(36)37)20-7-12-24(30)13-8-20/h5-14,16,19H,2-4,15,17-18H2,1H3/t19-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222869
PNG
(6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C24H28FN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 17n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM152712
PNG
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 17n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ghrelin receptor


(Ovis aries)		BDBM50222854
PNG
(6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C23H26FN3O2/c1-16(2)26-11-3-4-17(13-26)14-27-15-25-22-10-9-20(12-21(22)23(27)28)29-19-7-5-18(24)6-8-19/h5-10,12,15-17H,3-4,11,13-14H2,1-2H3/t17-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 18n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50371160
PNG
(CHEMBL243429)
Show SMILES CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCN(CC)C3)c(=O)c2c1
Show InChI InChI=1S/C28H38N4O2/c1-5-7-16-30(3)22-14-15-25-24(18-22)28(33)32(20-21-11-10-17-31(6-2)19-21)27(29-25)23-12-8-9-13-26(23)34-4/h8-9,12-15,18,21H,5-7,10-11,16-17,19-20H2,1-4H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50014717
PNG
(CHEMBL3262026 | US9951014, Name 8R)
Show SMILES Cc1cc(N)nc(CCc2cncc(c2)[C@H](CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 24n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of purified rat nNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay

J Med Chem 57: 4382-96 (2014)


Article DOI: 10.1021/jm5004182
BindingDB Entry DOI: 10.7270/Q21R6S26
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50093349
PNG
(CHEMBL3586664 | US9951014, Name 19c)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 24n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ghrelin receptor


(Ovis aries)		BDBM50222868
PNG
(3-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylpheny...)
Show SMILES CCN1CCCC(Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 24n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222876
PNG
(6-(4-chlorophenyl)-3-[(1-ethyl-1,2,5,6-tetrahydrop...)
Show SMILES CCN1CCC=C(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H28ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7-15,17H,3,6,16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 26n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50014715
PNG
(CHEMBL3262024 | US9951014, Name 8)
Show SMILES Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 30n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of purified rat nNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay

J Med Chem 57: 4382-96 (2014)


Article DOI: 10.1021/jm5004182
BindingDB Entry DOI: 10.7270/Q21R6S26
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50093348
PNG
(CHEMBL3586663 | US9951014, Name 19b)
Show SMILES CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 34n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM152713
PNG
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 35n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ghrelin receptor


(Ovis aries)		BDBM50371159
PNG
(CHEMBL390274)
Show SMILES CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1
Show InChI InChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 36n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222865
PNG
(6-(4-fluorophenyl)-2-isopropyl-3-[(1-isopropylpipe...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(F)cc2)C(C)C)C1
Show InChI InChI=1S/C26H32FN3O/c1-17(2)25-28-24-12-9-21(20-7-10-22(27)11-8-20)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 39n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222883
PNG
((S)-3-((1-ethylpiperidin-3-yl)methyl)-6-(4-fluorop...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(F)cc2)C(C)C)C1
Show InChI InChI=1S/C25H30FN3O/c1-4-28-13-5-6-18(15-28)16-29-24(17(2)3)27-23-12-9-20(14-22(23)25(29)30)19-7-10-21(26)11-8-19/h7-12,14,17-18H,4-6,13,15-16H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 40n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222861
PNG
(6-(4-chlorophenyl)-2-isopropyl-3-{[(3S)-1-isopropy...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C(C)C)C1
Show InChI InChI=1S/C26H32ClN3O/c1-17(2)25-28-24-12-9-21(20-7-10-22(27)11-8-20)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 45n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222870
PNG
((R)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 47n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50427863
PNG
(CHEMBL2326360)
Show SMILES Cc1cc(N)nc(CCc2cc(CN)cc(CCc3cc(C)cc(N)n3)c2)c1
Show InChI InChI=1S/C23H29N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6,14,24H2,1-2H3,(H2,25,27)(H2,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 53n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS

J Med Chem 58: 994-1004 (2015)


Article DOI: 10.1021/jm501723p
BindingDB Entry DOI: 10.7270/Q2833TP5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50014713
PNG
(CHEMBL3262022 | US9951014, Name 6)
Show SMILES Cc1cc(N)nc(CCc2cccc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C23H29N5/c1-15-8-20(27-22(25)10-15)7-6-17-4-3-5-18(12-17)19(14-24)13-21-9-16(2)11-23(26)28-21/h3-5,8-12,19H,6-7,13-14,24H2,1-2H3,(H2,25,27)(H2,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 53n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of purified rat nNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay

J Med Chem 57: 4382-96 (2014)


Article DOI: 10.1021/jm5004182
BindingDB Entry DOI: 10.7270/Q21R6S26
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50093349
PNG
(CHEMBL3586664 | US9951014, Name 19c)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 55n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50093341
PNG
(CHEMBL3586658 | US9951014, Name 10c)
Show SMILES CN(CCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 56n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM152712
PNG
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
PDB
Article
PubMed
 59n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50093341
PNG
(CHEMBL3586658 | US9951014, Name 10c)
Show SMILES CN(CCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 62n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM152713
PNG
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 64n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50093344
PNG
(CHEMBL3586662 | US9951014, Name 19a)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 67n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50014716
PNG
(CHEMBL3262025 | US9951014, Name 8S)
Show SMILES Cc1cc(N)nc(CCc2cncc(c2)[C@@H](CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 70n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of purified rat nNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay

J Med Chem 57: 4382-96 (2014)


Article DOI: 10.1021/jm5004182
BindingDB Entry DOI: 10.7270/Q21R6S26
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50014710
PNG
(CHEMBL3262019)
Show SMILES Cc1cc(N)nc(CCc2cccc(c2)C(O)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H26N4O/c1-14-8-18(25-21(23)10-14)7-6-16-4-3-5-17(12-16)20(27)13-19-9-15(2)11-22(24)26-19/h3-5,8-12,20,27H,6-7,13H2,1-2H3,(H2,23,25)(H2,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
 70n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of purified rat nNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay

J Med Chem 57: 4382-96 (2014)


Article DOI: 10.1021/jm5004182
BindingDB Entry DOI: 10.7270/Q21R6S26
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ghrelin receptor


(Ovis aries)		BDBM50222888
PNG
(6-(4-chlorophenyl)-3-{[(3R)-1-ethylpiperidin-3-yl]...)
Show SMILES CCN1CCC[C@@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 71n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50341678
PNG
(6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...)
Show SMILES Cc1cc(N)nc(CCc2cc(N)cc(CCc3cc(C)cc(N)n3)c2)c1
Show InChI InChI=1S/C22H27N5/c1-14-7-19(26-21(24)9-14)5-3-16-11-17(13-18(23)12-16)4-6-20-8-15(2)10-22(25)27-20/h7-13H,3-6,23H2,1-2H3,(H2,24,26)(H2,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 85n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS

J Med Chem 58: 994-1004 (2015)


Article DOI: 10.1021/jm501723p
BindingDB Entry DOI: 10.7270/Q2833TP5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50014715
PNG
(CHEMBL3262024 | US9951014, Name 8)
Show SMILES Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
PDB
Article
PubMed
 90n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human nNOS

J Med Chem 57: 4382-96 (2014)


Article DOI: 10.1021/jm5004182
BindingDB Entry DOI: 10.7270/Q21R6S26
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ghrelin receptor


(Ovis aries)		BDBM50222874
PNG
((R)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-...)
Show SMILES CCN1CCC[C@@H](Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3/t17-/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 95n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM152711
PNG
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
PDB
Article
PubMed
 98n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50093348
PNG
(CHEMBL3586663 | US9951014, Name 19b)
Show SMILES CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 105n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50093342
PNG
(CHEMBL3586659 | US9951014, Name 10d)
Show SMILES CN(CCCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 109n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)		BDBM50222856
PNG
(6-(4-chlorophenyl)-3-{[(3S)-1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C1
Show InChI InChI=1S/C24H28ClN3O/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-8-20(13-22(23)24(28)29)19-6-9-21(25)10-7-19/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 110n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50093350
PNG
(CHEMBL3586657)
Show SMILES CN(C)CCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 111n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay

J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50222859
PNG
(6-(4-chlorophenyl)-3-{[(3S)-1-ethylpiperidin-3-yl]...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 120n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]DIO from 5HT2c receptor

J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1823 total )  |  Next  |  Last  >>
Jump to: