BindingDB logo
myBDB logout

PubMed code 23992105

Compile data set for download or QSAR
Found 4 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
Gastrin-releasing peptide receptor


(Homo sapiens (Human))		BDBM50441006
PNG
(CHEMBL2429987)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H113FN22O19S/c1-39(2)29-54(98-70(112)50(15-11-12-27-85-68(110)43-16-18-45(79)19-17-43)95-72(114)52(20-23-59(80)102)96-71(113)51-22-25-62(105)91-51)69(111)87-36-63(106)93-58(33-61(82)104)77(119)97-53(21-24-60(81)103)73(115)100-56(31-44-34-86-48-14-10-9-13-47(44)48)74(116)90-42(7)67(109)101-65(41(5)6)78(120)88-37-64(107)92-57(32-46-35-84-38-89-46)76(118)99-55(30-40(3)4)75(117)94-49(66(83)108)26-28-121-8/h9-10,13-14,16-19,34-35,38-42,49-58,65,86H,11-12,15,20-33,36-37H2,1-8H3,(H2,80,102)(H2,81,103)(H2,82,104)(H2,83,108)(H,84,89)(H,85,110)(H,87,111)(H,88,120)(H,90,116)(H,91,105)(H,92,107)(H,93,106)(H,94,117)(H,95,114)(H,96,113)(H,97,119)(H,98,112)(H,99,118)(H,100,115)(H,101,109)/t42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Institute of Technology (ETH) Zurich

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells

J Med Chem 56: 7552-63 (2013)


Article DOI: 10.1021/jm400857f
BindingDB Entry DOI: 10.7270/Q2VX0HZF
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(Homo sapiens (Human))		BDBM50441004
PNG
(CHEMBL2429980)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)Cc1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C74H115FN16O20S2Si/c1-41(2)29-52(58(92)34-62(96)84-53(65(77)98)30-42(3)4)87-70(103)55(33-47-36-78-40-81-47)85-63(97)37-91(14)72(105)64(43(5)6)90-66(99)44(7)82-69(102)54(32-46-35-80-50-20-16-15-19-49(46)50)88-68(101)51(26-27-59(76)93)83-60(94)21-17-18-28-79-67(100)56(38-112(106,107)108)89-71(104)57(39-113(109,110)111)86-61(95)31-45-22-24-48(25-23-45)114(75,73(8,9)10)74(11,12)13/h15-16,19-20,22-25,35-36,40-44,51-58,64,80,92H,17-18,21,26-34,37-39H2,1-14H3,(H2,76,93)(H2,77,98)(H,78,81)(H,79,100)(H,82,102)(H,83,94)(H,84,96)(H,85,97)(H,86,95)(H,87,103)(H,88,101)(H,89,104)(H,90,99)(H,106,107,108)(H,109,110,111)/t44-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Institute of Technology (ETH) Zurich

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells after 1 hr by gamma-counting analysis

J Med Chem 56: 7552-63 (2013)


Article DOI: 10.1021/jm400857f
BindingDB Entry DOI: 10.7270/Q2VX0HZF
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(Homo sapiens (Human))		BDBM50441005
PNG
(CHEMBL2429964)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:62.72,32.45,23.24,8.15,93.97,99.102,wD:46.54,4.4,27.28,(62.15,-35.4,;62.16,-33.86,;63.49,-33.09,;60.83,-33.08,;60.83,-31.54,;59.5,-30.77,;58.17,-31.53,;58.16,-33.07,;56.84,-30.75,;56.84,-29.21,;58.18,-28.45,;58.14,-26.9,;59.59,-26.39,;60.53,-27.62,;59.65,-28.88,;55.5,-31.52,;54.17,-30.74,;54.18,-29.2,;52.83,-31.5,;51.5,-30.73,;51.51,-29.19,;50.16,-31.49,;50.16,-33.03,;48.83,-30.72,;47.5,-31.48,;46.17,-30.7,;46.17,-29.16,;44.83,-31.47,;44.8,-33,;43.5,-30.69,;42.16,-31.45,;42.15,-32.99,;40.83,-30.68,;40.84,-29.14,;42.18,-28.37,;43.66,-28.8,;44.52,-27.52,;43.57,-26.32,;43.84,-24.81,;42.67,-23.81,;41.22,-24.34,;40.96,-25.85,;42.12,-26.83,;39.49,-31.44,;38.16,-30.66,;38.17,-29.12,;36.83,-31.43,;36.82,-32.97,;38.15,-33.74,;38.14,-35.28,;39.47,-36.06,;36.81,-36.05,;35.5,-30.65,;34.16,-31.42,;34.15,-32.96,;32.83,-30.64,;31.49,-31.4,;30.16,-30.63,;28.83,-31.39,;27.5,-30.61,;26.16,-31.38,;26.15,-32.92,;24.83,-30.6,;24.84,-29.06,;26.17,-28.3,;26.18,-26.76,;27.52,-25.99,;27.52,-24.45,;28.86,-23.69,;26.19,-23.68,;23.49,-31.37,;22.16,-30.59,;22.17,-29.05,;20.82,-31.35,;19.49,-30.58,;19.51,-29.04,;18.18,-28.27,;16.85,-29.04,;16.84,-30.59,;18.17,-31.35,;15.46,-28.24,;15.45,-29.77,;14.12,-29,;12.79,-28.22,;14.1,-30.54,;12.81,-29.81,;15.44,-26.7,;16.82,-25.58,;14.09,-25.95,;15.42,-25.16,;48.84,-29.18,;50.18,-28.41,;47.51,-28.4,;62.17,-30.78,;62.18,-29.24,;63.5,-31.55,;64.84,-30.79,;64.85,-29.25,;66.17,-31.57,;67.51,-30.8,;67.51,-29.26,;68.85,-28.5,;68.86,-26.96,;70.18,-29.28,;68.84,-31.58,;70.17,-30.82,;68.83,-33.12,)|
Show InChI InChI=1S/C74H117FN18O13Si/c1-42(2)32-54(58(94)37-62(98)88-55(65(77)100)33-43(3)4)90-70(105)57(36-48-39-80-41-84-48)89-63(99)40-93(14)71(106)64(44(5)6)92-66(101)45(7)85-69(104)56(35-47-38-83-51-21-16-15-20-50(47)51)91-68(103)53(28-29-59(76)95)86-60(96)23-17-18-30-81-67(102)52(22-19-31-82-72(78)79)87-61(97)34-46-24-26-49(27-25-46)107(75,73(8,9)10)74(11,12)13/h15-16,20-21,24-27,38-39,41-45,52-58,64,83,94H,17-19,22-23,28-37,40H2,1-14H3,(H2,76,95)(H2,77,100)(H,80,84)(H,81,102)(H,85,104)(H,86,96)(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,91,103)(H,92,101)(H4,78,79,82)/t45-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Institute of Technology (ETH) Zurich

Curated by ChEMBL


Assay Description
Binding affinity to GRP receptor (unknown origin)

J Med Chem 56: 7552-63 (2013)


Article DOI: 10.1021/jm400857f
BindingDB Entry DOI: 10.7270/Q2VX0HZF
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(Homo sapiens (Human))		BDBM50441003
PNG
(CHEMBL2429981)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C(O)C(O)C(=O)NCCc1ccc(cc1)[Si](F)(C(C)(C)C)C(C)(C)C)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H124FN19O16Si/c1-43(2)34-55(59(99)38-62(102)92-56(67(81)106)35-44(3)4)95-72(111)58(37-49-40-84-42-89-49)93-63(103)41-98(14)75(114)64(45(5)6)97-68(107)46(7)90-71(110)57(36-48-39-88-52-21-16-15-20-51(48)52)96-70(109)54(28-29-60(80)100)91-61(101)23-17-18-31-85-69(108)53(22-19-32-87-76(82)83)94-74(113)66(105)65(104)73(112)86-33-30-47-24-26-50(27-25-47)115(79,77(8,9)10)78(11,12)13/h15-16,20-21,24-27,39-40,42-46,53-59,64-66,88,99,104-105H,17-19,22-23,28-38,41H2,1-14H3,(H2,80,100)(H2,81,106)(H,84,89)(H,85,108)(H,86,112)(H,90,110)(H,91,101)(H,92,102)(H,93,103)(H,94,113)(H,95,111)(H,96,109)(H,97,107)(H4,82,83,87)/t46-,53-,54-,55-,56-,57-,58-,59-,64-,65?,66?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Institute of Technology (ETH) Zurich

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells after 1 hr by gamma-counting analysis

J Med Chem 56: 7552-63 (2013)


Article DOI: 10.1021/jm400857f
BindingDB Entry DOI: 10.7270/Q2VX0HZF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%