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PubMed code 12723954

Compile data set for download or QSAR
Found 47 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))		BDBM50127522
PNG
(2-Phenylacetylamino-pentanedioic acid 5-amide 1-{[...)
Show SMILES NC(=O)CCC(NC(=O)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H35N5O4/c33-29(38)16-15-27(36-30(39)19-23-11-5-2-6-12-23)32(41)37-28(20-24-21-35-26-14-8-7-13-25(24)26)31(40)34-18-17-22-9-3-1-4-10-22/h1-14,21,27-28,35H,15-20H2,(H2,33,38)(H,34,40)(H,36,39)(H,37,41)
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n/an/an/an/a 1.91E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against gastrin releasing peptide receptor (GRP-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127547
PNG
(CHEMBL57559 | peptidomimetic)
Show SMILES O=C(Cc1ccccc1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C28H29N5O3/c34-26(17-21-11-5-2-6-12-21)32-33-28(36)31-25(18-22-19-30-24-14-8-7-13-23(22)24)27(35)29-16-15-20-9-3-1-4-10-20/h1-14,19,25,30H,15-18H2,(H,29,35)(H,32,34)(H2,31,33,36)
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n/an/an/an/a 3.10n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127533
PNG
(2-(2-Amino-3-phenyl-propionylamino)-pentanedioic a...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H38N6O4/c34-26(19-23-11-5-2-6-12-23)31(41)38-28(15-16-30(35)40)33(43)39-29(20-24-21-37-27-14-8-7-13-25(24)27)32(42)36-18-17-22-9-3-1-4-10-22/h1-14,21,26,28-29,37H,15-20,34H2,(H2,35,40)(H,36,42)(H,38,41)(H,39,43)/t26-,28?,29?/m1/s1
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n/an/an/an/a 710n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127541
PNG
(CHEMBL418147 | peptidomimetic)
Show SMILES O=C(NNCc1ccco1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H27N5O3/c31-24(26-13-12-18-7-2-1-3-8-18)23(15-19-16-27-22-11-5-4-10-21(19)22)29-25(32)30-28-17-20-9-6-14-33-20/h1-11,14,16,23,27-28H,12-13,15,17H2,(H,26,31)(H2,29,30,32)
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n/an/an/an/a 24n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(Homo sapiens (Human))		BDBM50127535
PNG
(2-[2-(4-Chloro-phenyl)-acetylamino]-pentanedioic a...)
Show SMILES NC(=O)CCC(NC(=O)Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H34ClN5O4/c33-24-12-10-22(11-13-24)18-30(40)37-27(14-15-29(34)39)32(42)38-28(19-23-20-36-26-9-5-4-8-25(23)26)31(41)35-17-16-21-6-2-1-3-7-21/h1-13,20,27-28,36H,14-19H2,(H2,34,39)(H,35,41)(H,37,40)(H,38,42)
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n/an/an/an/a 1.22E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against gastrin releasing peptide receptor (GRP-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127544
PNG
(CHEMBL56369 | peptidomimetic)
Show SMILES O=C(Cc1cccnc1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H28N6O3/c34-25(15-20-9-6-13-28-17-20)32-33-27(36)31-24(16-21-18-30-23-11-5-4-10-22(21)23)26(35)29-14-12-19-7-2-1-3-8-19/h1-11,13,17-18,24,30H,12,14-16H2,(H,29,35)(H,32,34)(H2,31,33,36)
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n/an/an/an/a 1.40n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127545
PNG
(2-[3-(4-Chloro-phenyl)-propionylamino]-pentanedioi...)
Show SMILES NC(=O)CCC(NC(=O)CCc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H36ClN5O4/c34-25-13-10-23(11-14-25)12-17-31(41)38-28(15-16-30(35)40)33(43)39-29(20-24-21-37-27-9-5-4-8-26(24)27)32(42)36-19-18-22-6-2-1-3-7-22/h1-11,13-14,21,28-29,37H,12,15-20H2,(H2,35,40)(H,36,42)(H,38,41)(H,39,43)
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n/an/an/an/a 230n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))		BDBM50127532
PNG
(CHEMBL438926 | Val-Pro-Leu-Pro-Ala-Gly-Gly-Gly-Thr...)
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](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C130H204N38O31S2/c1-65(2)47-86(115(185)152-82(108(134)178)38-45-200-17)156-116(186)89(52-77-56-137-63-146-77)150-101(176)62-145-123(193)104(69(9)10)163-110(180)72(14)148-114(184)88(51-76-55-140-81-28-20-19-27-80(76)81)157-117(187)90(53-78-57-138-64-147-78)158-118(188)91(54-97(132)172)151-100(175)61-144-111(181)83(30-23-41-139-130(135)136)154-121(191)95-32-25-43-167(95)128(198)93(50-75-34-36-79(171)37-35-75)160-113(183)85(39-46-201-18)153-112(182)84(29-21-22-40-131)155-125(195)107(74(16)170)165-119(189)87(48-66(3)4)159-124(194)105(70(11)12)164-126(196)106(73(15)169)162-102(177)60-142-98(173)58-141-99(174)59-143-109(179)71(13)149-120(190)94-31-24-42-166(94)127(197)92(49-67(5)6)161-122(192)96-33-26-44-168(96)129(199)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,140,169-171H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,172)(H2,134,178)(H,137,146)(H,138,147)(H,141,174)(H,142,173)(H,143,179)(H,144,181)(H,145,193)(H,148,184)(H,149,190)(H,150,176)(H,151,175)(H,152,185)(H,153,182)(H,154,191)(H,155,195)(H,156,186)(H,157,187)(H,158,188)(H,159,194)(H,160,183)(H,161,192)(H,162,177)(H,163,180)(H,164,196)(H,165,189)(H4,135,136,139)/t71-,72-,73+,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127542
PNG
(2-{2-[2-(4-Chloro-phenyl)-acetylamino]-propionylam...)
Show SMILES CC(NC(=O)Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H31ClN4O3/c1-20(34-28(36)17-22-11-13-24(31)14-12-22)29(37)35-27(18-23-19-33-26-10-6-5-9-25(23)26)30(38)32-16-15-21-7-3-2-4-8-21/h2-14,19-20,27,33H,15-18H2,1H3,(H,32,38)(H,34,36)(H,35,37)
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n/an/an/an/a 140n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127543
PNG
(3-(1H-Indol-3-yl)-N-phenethyl-2-[2-(2-pyridin-3-yl...)
Show SMILES CC(NC(=O)Cc1cccnc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H31N5O3/c1-20(33-27(35)16-22-10-7-14-30-18-22)28(36)34-26(17-23-19-32-25-12-6-5-11-24(23)25)29(37)31-15-13-21-8-3-2-4-9-21/h2-12,14,18-20,26,32H,13,15-17H2,1H3,(H,31,37)(H,33,35)(H,34,36)
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n/an/an/an/a 32n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127551
PNG
(CHEMBL292646 | peptidomimetic)
Show SMILES O=C(CC1NCCc2ccccc12)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H34N6O3/c38-29(19-27-24-11-5-4-10-22(24)15-17-32-27)36-37-31(40)35-28(18-23-20-34-26-13-7-6-12-25(23)26)30(39)33-16-14-21-8-2-1-3-9-21/h1-13,20,27-28,32,34H,14-19H2,(H,33,39)(H,36,38)(H2,35,37,40)
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n/an/an/an/a 9.30n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127518
PNG
(CHEMBL57104 | peptidomimetic)
Show SMILES Clc1ccc(CC(=O)NNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C28H28ClN5O3/c29-22-12-10-20(11-13-22)16-26(35)33-34-28(37)32-25(17-21-18-31-24-9-5-4-8-23(21)24)27(36)30-15-14-19-6-2-1-3-7-19/h1-13,18,25,31H,14-17H2,(H,30,36)(H,33,35)(H2,32,34,37)
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n/an/an/an/a 0.190n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127523
PNG
(3-(1H-Indol-3-yl)-N-phenethyl-2-{2-[(pyridin-3-ylm...)
Show SMILES O=C(CNCc1cccnc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N5O2/c33-26(19-29-17-21-9-6-13-28-16-21)32-25(15-22-18-31-24-11-5-4-10-23(22)24)27(34)30-14-12-20-7-2-1-3-8-20/h1-11,13,16,18,25,29,31H,12,14-15,17,19H2,(H,30,34)(H,32,33)
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n/an/an/an/a 21n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127528
PNG
(3-(1H-Indol-3-yl)-N-phenethyl-2-[2-(2-1,2,3,4-tetr...)
Show SMILES CC(NC(=O)CC1NCCc2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H37N5O3/c1-22(37-31(39)20-29-26-12-6-5-11-24(26)16-18-34-29)32(40)38-30(19-25-21-36-28-14-8-7-13-27(25)28)33(41)35-17-15-23-9-3-2-4-10-23/h2-14,21-22,29-30,34,36H,15-20H2,1H3,(H,35,41)(H,37,39)(H,38,40)
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n/an/an/an/a 310n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(Homo sapiens (Human))		BDBM50127519
PNG
(CHEMBL262992 | [D-Tyr6-, Beta-Ala11, Phe13, Nle14]...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C58H79N11O11/c1-6-7-19-43(58(79)80)63-52(73)46(31-38-17-12-9-13-18-38)67-56(77)50(36(4)5)68-49(71)25-26-61-51(72)44(28-35(2)3)64-54(75)47(32-40-33-60-34-62-40)65-53(74)45(30-37-15-10-8-11-16-37)66-55(76)48-20-14-27-69(48)57(78)42(59)29-39-21-23-41(70)24-22-39/h8-13,15-18,21-24,33-36,42-48,50,70H,6-7,14,19-20,25-32,59H2,1-5H3,(H,60,62)(H,61,72)(H,63,73)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,71)(H,79,80)/t42-,43+,44+,45+,46+,47+,48+,50+/m1/s1
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n/an/an/an/a 84n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against gastrin releasing peptide receptor (GRP-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127529
PNG
(2-[2-(4-Chloro-benzylamino)-acetylamino]-3-(1H-ind...)
Show SMILES Clc1ccc(CNCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C28H29ClN4O2/c29-23-12-10-21(11-13-23)17-30-19-27(34)33-26(16-22-18-32-25-9-5-4-8-24(22)25)28(35)31-15-14-20-6-2-1-3-7-20/h1-13,18,26,30,32H,14-17,19H2,(H,31,35)(H,33,34)
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n/an/an/an/a 2.90n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127538
PNG
(CHEMBL291549 | peptidomimetic)
Show SMILES O=C(NN=Cc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 |w:4.4|
Show InChI InChI=1S/C27H27N5O2/c33-26(28-16-15-20-9-3-1-4-10-20)25(17-22-19-29-24-14-8-7-13-23(22)24)31-27(34)32-30-18-21-11-5-2-6-12-21/h1-14,18-19,25,29H,15-17H2,(H,28,33)(H2,31,32,34)
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n/an/an/an/a 240n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127540
PNG
(CHEMBL175651 | peptidomimetic)
Show SMILES O=C(CC1NCCc2ccccc12)NNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H34N6O3/c38-29(19-27-24-11-5-4-10-22(24)15-17-32-27)36-37-31(40)35-28(18-23-20-34-26-13-7-6-12-25(23)26)30(39)33-16-14-21-8-2-1-3-9-21/h1-13,20,27-28,32,34H,14-19H2,(H,33,39)(H,36,38)(H2,35,37,40)/t27?,28-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))		BDBM50127535
PNG
(2-[2-(4-Chloro-phenyl)-acetylamino]-pentanedioic a...)
Show SMILES NC(=O)CCC(NC(=O)Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H34ClN5O4/c33-24-12-10-22(11-13-24)18-30(40)37-27(14-15-29(34)39)32(42)38-28(19-23-20-36-26-9-5-4-8-25(23)26)31(41)35-17-16-21-6-2-1-3-7-21/h1-13,20,27-28,36H,14-19H2,(H2,34,39)(H,35,41)(H,37,40)(H,38,42)
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n/an/an/an/a 1.85E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(Homo sapiens (Human))		BDBM50127532
PNG
(CHEMBL438926 | Val-Pro-Leu-Pro-Ala-Gly-Gly-Gly-Thr...)
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](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C130H204N38O31S2/c1-65(2)47-86(115(185)152-82(108(134)178)38-45-200-17)156-116(186)89(52-77-56-137-63-146-77)150-101(176)62-145-123(193)104(69(9)10)163-110(180)72(14)148-114(184)88(51-76-55-140-81-28-20-19-27-80(76)81)157-117(187)90(53-78-57-138-64-147-78)158-118(188)91(54-97(132)172)151-100(175)61-144-111(181)83(30-23-41-139-130(135)136)154-121(191)95-32-25-43-167(95)128(198)93(50-75-34-36-79(171)37-35-75)160-113(183)85(39-46-201-18)153-112(182)84(29-21-22-40-131)155-125(195)107(74(16)170)165-119(189)87(48-66(3)4)159-124(194)105(70(11)12)164-126(196)106(73(15)169)162-102(177)60-142-98(173)58-141-99(174)59-143-109(179)71(13)149-120(190)94-31-24-42-166(94)127(197)92(49-67(5)6)161-122(192)96-33-26-44-168(96)129(199)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,140,169-171H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,172)(H2,134,178)(H,137,146)(H,138,147)(H,141,174)(H,142,173)(H,143,179)(H,144,181)(H,145,193)(H,148,184)(H,149,190)(H,150,176)(H,151,175)(H,152,185)(H,153,182)(H,154,191)(H,155,195)(H,156,186)(H,157,187)(H,158,188)(H,159,194)(H,160,183)(H,161,192)(H,162,177)(H,163,180)(H,164,196)(H,165,189)(H4,135,136,139)/t71-,72-,73+,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against gastrin releasing peptide receptor (GRP-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))		BDBM50127519
PNG
(CHEMBL262992 | [D-Tyr6-, Beta-Ala11, Phe13, Nle14]...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C58H79N11O11/c1-6-7-19-43(58(79)80)63-52(73)46(31-38-17-12-9-13-18-38)67-56(77)50(36(4)5)68-49(71)25-26-61-51(72)44(28-35(2)3)64-54(75)47(32-40-33-60-34-62-40)65-53(74)45(30-37-15-10-8-11-16-37)66-55(76)48-20-14-27-69(48)57(78)42(59)29-39-21-23-41(70)24-22-39/h8-13,15-18,21-24,33-36,42-48,50,70H,6-7,14,19-20,25-32,59H2,1-5H3,(H,60,62)(H,61,72)(H,63,73)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,71)(H,79,80)/t42-,43+,44+,45+,46+,47+,48+,50+/m1/s1
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n/an/an/an/a 310n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127524
PNG
(CHEMBL58097 | peptidomimetic)
Show SMILES O=C(NN=Cc1ccc(cc1)-c1cccs1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 |w:4.4|
Show InChI InChI=1S/C31H29N5O2S/c37-30(32-17-16-22-7-2-1-3-8-22)28(19-25-21-33-27-10-5-4-9-26(25)27)35-31(38)36-34-20-23-12-14-24(15-13-23)29-11-6-18-39-29/h1-15,18,20-21,28,33H,16-17,19H2,(H,32,37)(H2,35,36,38)
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n/an/an/an/a 7.90E+3n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127522
PNG
(2-Phenylacetylamino-pentanedioic acid 5-amide 1-{[...)
Show SMILES NC(=O)CCC(NC(=O)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H35N5O4/c33-29(38)16-15-27(36-30(39)19-23-11-5-2-6-12-23)32(41)37-28(20-24-21-35-26-14-8-7-13-25(24)26)31(40)34-18-17-22-9-3-1-4-10-22/h1-14,21,27-28,35H,15-20H2,(H2,33,38)(H,34,40)(H,36,39)(H,37,41)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127537
PNG
(3-(1H-Indol-3-yl)-2-[2-(2-1H-indol-2-yl-acetylamin...)
Show SMILES CC(NC(=O)Cc1cc2ccccc2[nH]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H33N5O3/c1-21(35-30(38)19-25-17-23-11-5-7-13-27(23)36-25)31(39)37-29(18-24-20-34-28-14-8-6-12-26(24)28)32(40)33-16-15-22-9-3-2-4-10-22/h2-14,17,20-21,29,34,36H,15-16,18-19H2,1H3,(H,33,40)(H,35,38)(H,37,39)
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n/an/an/an/a 79n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127539
PNG
(3-(1H-Indol-3-yl)-N-phenethyl-2-(2-phenylacetylami...)
Show SMILES CC(NC(=O)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H32N4O3/c1-21(33-28(35)18-23-12-6-3-7-13-23)29(36)34-27(19-24-20-32-26-15-9-8-14-25(24)26)30(37)31-17-16-22-10-4-2-5-11-22/h2-15,20-21,27,32H,16-19H2,1H3,(H,31,37)(H,33,35)(H,34,36)
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n/an/an/an/a 2.10n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Gastrin-releasing peptide receptor


(Homo sapiens (Human))		BDBM50071745
PNG
(CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)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](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1
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n/an/an/an/a 41n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against gastrin releasing peptide receptor (GRP-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127546
PNG
(2-{2-[3-(4-Chloro-phenyl)-propionylamino]-propiony...)
Show SMILES CC(NC(=O)CCc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H33ClN4O3/c1-21(35-29(37)16-13-23-11-14-25(32)15-12-23)30(38)36-28(19-24-20-34-27-10-6-5-9-26(24)27)31(39)33-18-17-22-7-3-2-4-8-22/h2-12,14-15,20-21,28,34H,13,16-19H2,1H3,(H,33,39)(H,35,37)(H,36,38)
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n/an/an/an/a 6.40E+3n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127552
PNG
(2-[2-(4-Benzyl-piperazin-1-yl)-acetylamino]-3-(1H-...)
Show SMILES O=C(CN1CCN(Cc2ccccc2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H37N5O2/c38-31(24-37-19-17-36(18-20-37)23-26-11-5-2-6-12-26)35-30(21-27-22-34-29-14-8-7-13-28(27)29)32(39)33-16-15-25-9-3-1-4-10-25/h1-14,22,30,34H,15-21,23-24H2,(H,33,39)(H,35,38)
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n/an/an/an/a 70n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127553
PNG
(2-(2-1H-Indol-2-yl-acetylamino)-pentanedioic acid ...)
Show SMILES NC(=O)CCC(NC(=O)Cc1cc2ccccc2[nH]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H36N6O4/c35-31(41)15-14-29(39-32(42)20-25-18-23-10-4-6-12-27(23)38-25)34(44)40-30(19-24-21-37-28-13-7-5-11-26(24)28)33(43)36-17-16-22-8-2-1-3-9-22/h1-13,18,21,29-30,37-38H,14-17,19-20H2,(H2,35,41)(H,36,43)(H,39,42)(H,40,44)
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n/an/an/an/a 57n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127531
PNG
(CHEMBL292227 | N-[2-(1H-Indol-3-yl)-1-phenethylcar...)
Show SMILES CC(NCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H34N4O2/c1-22(31-18-16-23-10-4-2-5-11-23)29(35)34-28(20-25-21-33-27-15-9-8-14-26(25)27)30(36)32-19-17-24-12-6-3-7-13-24/h2-15,21-22,28,31,33H,16-20H2,1H3,(H,32,36)(H,34,35)
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n/an/an/an/a 25n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127535
PNG
(2-[2-(4-Chloro-phenyl)-acetylamino]-pentanedioic a...)
Show SMILES NC(=O)CCC(NC(=O)Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H34ClN5O4/c33-24-12-10-22(11-13-24)18-30(40)37-27(14-15-29(34)39)32(42)38-28(19-23-20-36-26-9-5-4-8-25(23)26)31(41)35-17-16-21-6-2-1-3-7-21/h1-13,20,27-28,36H,14-19H2,(H2,34,39)(H,35,41)(H,37,40)(H,38,42)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50071745
PNG
(CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)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](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1
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n/an/an/an/a 4.50E+3n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127520
PNG
(CHEMBL57438 | peptidomimetic)
Show SMILES O=C(NN=Cc1ccco1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 |w:4.4|
Show InChI InChI=1S/C25H25N5O3/c31-24(26-13-12-18-7-2-1-3-8-18)23(15-19-16-27-22-11-5-4-10-21(19)22)29-25(32)30-28-17-20-9-6-14-33-20/h1-11,14,16-17,23,27H,12-13,15H2,(H,26,31)(H2,29,30,32)
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n/an/an/an/a 1.5n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127526
PNG
(CHEMBL56562 | peptidomimetic)
Show SMILES O=C(NNCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N5O2/c33-26(28-16-15-20-9-3-1-4-10-20)25(17-22-19-29-24-14-8-7-13-23(22)24)31-27(34)32-30-18-21-11-5-2-6-12-21/h1-14,19,25,29-30H,15-18H2,(H,28,33)(H2,31,32,34)
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n/an/an/an/a 15n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127532
PNG
(CHEMBL438926 | Val-Pro-Leu-Pro-Ala-Gly-Gly-Gly-Thr...)
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](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C130H204N38O31S2/c1-65(2)47-86(115(185)152-82(108(134)178)38-45-200-17)156-116(186)89(52-77-56-137-63-146-77)150-101(176)62-145-123(193)104(69(9)10)163-110(180)72(14)148-114(184)88(51-76-55-140-81-28-20-19-27-80(76)81)157-117(187)90(53-78-57-138-64-147-78)158-118(188)91(54-97(132)172)151-100(175)61-144-111(181)83(30-23-41-139-130(135)136)154-121(191)95-32-25-43-167(95)128(198)93(50-75-34-36-79(171)37-35-75)160-113(183)85(39-46-201-18)153-112(182)84(29-21-22-40-131)155-125(195)107(74(16)170)165-119(189)87(48-66(3)4)159-124(194)105(70(11)12)164-126(196)106(73(15)169)162-102(177)60-142-98(173)58-141-99(174)59-143-109(179)71(13)149-120(190)94-31-24-42-166(94)127(197)92(49-67(5)6)161-122(192)96-33-26-44-168(96)129(199)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,140,169-171H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,172)(H2,134,178)(H,137,146)(H,138,147)(H,141,174)(H,142,173)(H,143,179)(H,144,181)(H,145,193)(H,148,184)(H,149,190)(H,150,176)(H,151,175)(H,152,185)(H,153,182)(H,154,191)(H,155,195)(H,156,186)(H,157,187)(H,158,188)(H,159,194)(H,160,183)(H,161,192)(H,162,177)(H,163,180)(H,164,196)(H,165,189)(H4,135,136,139)/t71-,72-,73+,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1
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n/an/an/an/a 6.40E+3n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127534
PNG
(CHEMBL56626 | peptidomimetic)
Show SMILES Clc1ccc(CNNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C27H28ClN5O2/c28-22-12-10-20(11-13-22)17-31-33-27(35)32-25(16-21-18-30-24-9-5-4-8-23(21)24)26(34)29-15-14-19-6-2-1-3-7-19/h1-13,18,25,30-31H,14-17H2,(H,29,34)(H2,32,33,35)
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n/an/an/an/a 6n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))		BDBM50071745
PNG
(CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)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](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127550
PNG
(3-(1H-Indol-3-yl)-N-phenethyl-2-(2-phenethylamino-...)
Show SMILES O=C(CNCCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H32N4O2/c34-28(21-30-17-15-22-9-3-1-4-10-22)33-27(19-24-20-32-26-14-8-7-13-25(24)26)29(35)31-18-16-23-11-5-2-6-12-23/h1-14,20,27,30,32H,15-19,21H2,(H,31,35)(H,33,34)
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n/an/an/an/a 17n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127549
PNG
(2-(4-Chloro-benzylamino)-N-[2-(1H-indol-3-yl)-1-ph...)
Show SMILES CC(NCc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H31ClN4O2/c1-20(32-18-22-11-13-24(30)14-12-22)28(35)34-27(17-23-19-33-26-10-6-5-9-25(23)26)29(36)31-16-15-21-7-3-2-4-8-21/h2-14,19-20,27,32-33H,15-18H2,1H3,(H,31,36)(H,34,35)
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n/an/an/an/a 4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127530
PNG
(2-[2-(2-Benzo[1,3]dioxol-5-yl-acetylamino)-propion...)
Show SMILES CC(NC(=O)Cc1ccc2OCOc2c1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H32N4O5/c1-20(34-29(36)16-22-11-12-27-28(15-22)40-19-39-27)30(37)35-26(17-23-18-33-25-10-6-5-9-24(23)25)31(38)32-14-13-21-7-3-2-4-8-21/h2-12,15,18,20,26,33H,13-14,16-17,19H2,1H3,(H,32,38)(H,34,36)(H,35,37)
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n/an/an/an/a 7.80n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Neuromedin-B receptor


(Homo sapiens (Human))		BDBM50127522
PNG
(2-Phenylacetylamino-pentanedioic acid 5-amide 1-{[...)
Show SMILES NC(=O)CCC(NC(=O)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H35N5O4/c33-29(38)16-15-27(36-30(39)19-23-11-5-2-6-12-23)32(41)37-28(20-24-21-35-26-14-8-7-13-25(24)26)31(40)34-18-17-22-9-3-1-4-10-22/h1-14,21,27-28,35H,15-20H2,(H2,33,38)(H,34,40)(H,36,39)(H,37,41)
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n/an/an/an/a 1.50E+4n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127519
PNG
(CHEMBL262992 | [D-Tyr6-, Beta-Ala11, Phe13, Nle14]...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O
Show InChI InChI=1S/C58H79N11O11/c1-6-7-19-43(58(79)80)63-52(73)46(31-38-17-12-9-13-18-38)67-56(77)50(36(4)5)68-49(71)25-26-61-51(72)44(28-35(2)3)64-54(75)47(32-40-33-60-34-62-40)65-53(74)45(30-37-15-10-8-11-16-37)66-55(76)48-20-14-27-69(48)57(78)42(59)29-39-21-23-41(70)24-22-39/h8-13,15-18,21-24,33-36,42-48,50,70H,6-7,14,19-20,25-32,59H2,1-5H3,(H,60,62)(H,61,72)(H,63,73)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,71)(H,79,80)/t42-,43+,44+,45+,46+,47+,48+,50+/m1/s1
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n/an/an/an/a 151n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127521
PNG
(CHEMBL57046 | peptidomimetic)
Show SMILES Clc1ccc(C=NNC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1 |w:5.4|
Show InChI InChI=1S/C27H26ClN5O2/c28-22-12-10-20(11-13-22)17-31-33-27(35)32-25(16-21-18-30-24-9-5-4-8-23(21)24)26(34)29-15-14-19-6-2-1-3-7-19/h1-13,17-18,25,30H,14-16H2,(H,29,34)(H2,32,33,35)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127527
PNG
(CHEMBL294647 | peptidomimetic)
Show SMILES O=C(Cc1cc2ccccc2[nH]1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H30N6O3/c37-28(18-23-16-21-10-4-6-12-25(21)33-23)35-36-30(39)34-27(17-22-19-32-26-13-7-5-11-24(22)26)29(38)31-15-14-20-8-2-1-3-9-20/h1-13,16,19,27,32-33H,14-15,17-18H2,(H,31,38)(H,35,37)(H2,34,36,39)
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n/an/an/an/a 2.20n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127536
PNG
(2-[2-(4-Benzyl-piperidin-1-yl)-acetylamino]-3-(1H-...)
Show SMILES O=C(CN1CCC(Cc2ccccc2)CC1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H38N4O2/c38-32(24-37-19-16-27(17-20-37)21-26-11-5-2-6-12-26)36-31(22-28-23-35-30-14-8-7-13-29(28)30)33(39)34-18-15-25-9-3-1-4-10-25/h1-14,23,27,31,35H,15-22,24H2,(H,34,39)(H,36,38)
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n/an/an/an/a 30n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127548
PNG
(2-(2-Benzylamino-acetylamino)-3-(1H-indol-3-yl)-N-...)
Show SMILES O=C(CNCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C28H30N4O2/c33-27(20-29-18-22-11-5-2-6-12-22)32-26(17-23-19-31-25-14-8-7-13-24(23)25)28(34)30-16-15-21-9-3-1-4-10-21/h1-14,19,26,29,31H,15-18,20H2,(H,30,34)(H,32,33)
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n/an/an/an/a 21n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
Bombesin receptor subtype-3


(Homo sapiens (Human))		BDBM50127525
PNG
(2-Benzylamino-N-[2-(1H-indol-3-yl)-1-phenethylcarb...)
Show SMILES CC(NCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H32N4O2/c1-21(31-19-23-12-6-3-7-13-23)28(34)33-27(18-24-20-32-26-15-9-8-14-25(24)26)29(35)30-17-16-22-10-4-2-5-11-22/h2-15,20-21,27,31-32H,16-19H2,1H3,(H,30,35)(H,33,34)
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n/an/an/an/a 46n/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.

J Med Chem 46: 1918-30 (2003)


Article DOI: 10.1021/jm0210921
BindingDB Entry DOI: 10.7270/Q29S1QDS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%