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Compile Data Set for Download or QSAR

Found 534 hits Enz. Inhib. hit(s) with Target = 'BRS3'   
Target
(Institution)
LigandTarget
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
BRS3


(HUMAN)
BDBM50381918
PNG
(CHEMBL2023113)
Show SMILES NC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H20F6N4O4S/c26-24(27,28)19-10-5-14-13-35(40(37,38)16-8-6-15(7-9-16)39-25(29,30)31)20-17(23(22(32)36)11-2-12-23)3-1-4-18(20)33-21(14)34-19/h1,3-10H,2,11-13H2,(H2,32,36)(H,33,34)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381917
PNG
(CHEMBL2023112)
Show SMILES CC(C)(C(N)=O)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C24H20F6N4O4S/c1-22(2,21(31)35)16-4-3-5-17-19(16)34(12-13-6-11-18(23(25,26)27)33-20(13)32-17)39(36,37)15-9-7-14(8-10-15)38-24(28,29)30/h3-11H,12H2,1-2H3,(H2,31,35)(H,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381916
PNG
(CHEMBL2023111)
Show SMILES CC(C)(O)c1nc(no1)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F6N5O5S/c1-26(2,41)25-38-24(39-45-25)27(13-4-14-27)19-5-3-6-20-22(19)40(15-16-7-12-21(28(30,31)32)37-23(16)36-20)46(42,43)18-10-8-17(9-11-18)44-29(33,34)35/h3,5-12,41H,4,13-15H2,1-2H3,(H,36,37)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400247
PNG
(CHEMBL2179918)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc3ncccc3c12)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O2S/c1-25(2,3)17-7-9-18(10-8-17)36(34,35)33-15-16-6-13-22(26(27,28)29)32-24(16)31-21-12-11-20-19(23(21)33)5-4-14-30-20/h4-14H,15H2,1-3H3,(H,31,32)
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TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394612
PNG
(CHEMBL2164581)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(CO)n3)c12)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O4S/c1-25(2,3)16-8-10-17(11-9-16)39(36,37)34-13-15-7-12-20(26(27,28)29)31-23(15)30-19-6-4-5-18(22(19)34)24-32-21(14-35)38-33-24/h4-12,35H,13-14H2,1-3H3,(H,30,31)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394616
PNG
(CHEMBL2164577)
Show SMILES Cn1cc(cn1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O2S/c1-26(2,3)19-9-11-20(12-10-19)38(36,37)35-16-17-8-13-23(27(28,29)30)33-25(17)32-22-7-5-6-21(24(22)35)18-14-31-34(4)15-18/h5-15H,16H2,1-4H3,(H,32,33)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394609
PNG
(CHEMBL2164223)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O4S/c1-26(2,3)17-10-12-18(13-11-17)41(38,39)36-15-16-9-14-21(28(29,30)31)33-23(16)32-20-8-6-7-19(22(20)36)24-34-25(40-35-24)27(4,5)37/h6-14,37H,15H2,1-5H3,(H,32,33)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400254
PNG
(CHEMBL2179911)
Show SMILES Cc1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-15-6-5-7-19-21(15)30(14-16-8-13-20(24(25,26)27)29-22(16)28-19)33(31,32)18-11-9-17(10-12-18)23(2,3)4/h5-13H,14H2,1-4H3,(H,28,29)
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TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394613
PNG
(CHEMBL2164580)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3ncon3)c12)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5O3S/c1-24(2,3)16-8-10-17(11-9-16)37(34,35)33-13-15-7-12-20(25(26,27)28)31-22(15)30-19-6-4-5-18(21(19)33)23-29-14-36-32-23/h4-12,14H,13H2,1-3H3,(H,30,31)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50158702
PNG
(CHEMBL413893 | Universal ligand)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=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](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1
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National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of bombesin subtype 3 receptor expressed in human lung carcinoids


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400257
PNG
(CHEMBL2179908)
Show SMILES Cc1ccc2Nc3nc(Cl)ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H26ClN3O2S/c1-15-6-12-20-22(16(15)2)28(14-17-7-13-21(25)27-23(17)26-20)31(29,30)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,27)
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TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394611
PNG
(CHEMBL2164582)
Show SMILES C[C@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m0/s1
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394618
PNG
(CHEMBL2164575)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)
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TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381915
PNG
(CHEMBL2023110)
Show SMILES CC(C)(O)c1nc(no1)C(C)(C)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F6N5O5S/c1-25(2,23-37-24(44-38-23)26(3,4)40)18-6-5-7-19-21(18)39(14-15-8-13-20(27(29,30)31)36-22(15)35-19)45(41,42)17-11-9-16(10-12-17)43-28(32,33)34/h5-13,40H,14H2,1-4H3,(H,35,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394615
PNG
(CHEMBL2164578)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(C3CCNCC3)c12)C(F)(F)F
Show InChI InChI=1S/C28H31F3N4O2S/c1-27(2,3)20-8-10-21(11-9-20)38(36,37)35-17-19-7-12-24(28(29,30)31)34-26(19)33-23-6-4-5-22(25(23)35)18-13-15-32-16-14-18/h4-12,18,32H,13-17H2,1-3H3,(H,33,34)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400246
PNG
(CHEMBL2179473)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(C)c(C)c12)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-14(2)17-6-9-19(10-7-17)33(31,32)30-13-18-8-12-21(24(25,26)27)29-23(18)28-20-11-5-15(3)16(4)22(20)30/h5-12,14H,13H2,1-4H3,(H,28,29)
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TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394608
PNG
(CHEMBL2164224)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(2)16-8-11-18(12-9-16)40(37,38)35-14-17-10-13-21(27(28,29)30)32-23(17)31-20-7-5-6-19(22(20)35)24-33-25(39-34-24)26(3,4)36/h5-13,15,36H,14H2,1-4H3,(H,31,32)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394617
PNG
(CHEMBL2164576)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3cccnc3)c12)C(F)(F)F
Show InChI InChI=1S/C28H25F3N4O2S/c1-27(2,3)20-10-12-21(13-11-20)38(36,37)35-17-19-9-14-24(28(29,30)31)34-26(19)33-23-8-4-7-22(25(23)35)18-6-5-15-32-16-18/h4-16H,17H2,1-3H3,(H,33,34)
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394610
PNG
(CHEMBL2164222)
Show SMILES C[C@@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m1/s1
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TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381919
PNG
(CHEMBL2023114)
Show SMILES CNC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F6N4O4S/c1-33-23(37)24(12-3-13-24)18-4-2-5-19-21(18)36(14-15-6-11-20(25(27,28)29)35-22(15)34-19)41(38,39)17-9-7-16(8-10-17)40-26(30,31)32/h2,4-11H,3,12-14H2,1H3,(H,33,37)(H,34,35)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400249
PNG
(CHEMBL2179916)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(O)c12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)29-13-14-7-12-19(23(24,25)26)28-21(14)27-17-5-4-6-18(30)20(17)29/h4-12,30H,13H2,1-3H3,(H,27,28)
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400253
PNG
(CHEMBL2179912)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(Cl)c12)C(F)(F)F
Show InChI InChI=1S/C23H21ClF3N3O2S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)30-13-14-7-12-19(23(25,26)27)29-21(14)28-18-6-4-5-17(24)20(18)30/h4-12H,13H2,1-3H3,(H,28,29)
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400243
PNG
(CHEMBL2179476)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O3S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(21(23,24)25)30-20(14)29-17)35(32,33)16-7-5-15(6-8-16)34-22(26,27)28/h3-10H,11H2,1-2H3,(H,29,30)
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381914
PNG
(CHEMBL2023109 | MK-7725)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50381914
PNG
(CHEMBL2023109 | MK-7725)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400258
PNG
(CHEMBL2179907)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N
Show InChI InChI=1S/C25H26N4O2S/c1-16-6-13-22-23(17(16)2)29(15-18-7-10-20(14-26)27-24(18)28-22)32(30,31)21-11-8-19(9-12-21)25(3,4)5/h6-13H,15H2,1-5H3,(H,27,28)
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400250
PNG
(CHEMBL2179915)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(c(F)c12)C(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C26H27F4N3O3S/c1-24(2,3)16-7-9-17(10-8-16)37(35,36)33-14-15-6-13-20(26(28,29)30)32-23(15)31-19-12-11-18(25(4,5)34)21(27)22(19)33/h6-13,34H,14H2,1-5H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50336887
PNG
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)
Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-n2cccn2)[nH]1
Show InChI InChI=1S/C20H26N4O/c1-19(2,3)12-16-14-21-18(23-16)13-20(4,25)15-6-8-17(9-7-15)24-11-5-10-22-24/h5-11,14,25H,12-13H2,1-4H3,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400248
PNG
(CHEMBL2179917)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2S/c1-14-5-11-18-21(27-14)30(13-15-6-12-19(23(24,25)26)29-20(15)28-18)33(31,32)17-9-7-16(8-10-17)22(2,3)4/h5-12H,13H2,1-4H3,(H,28,29)
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n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50316905
PNG
((R)-1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-y...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCC[C@@H]2C(O)=O)[nH]1
Show InChI InChI=1S/C23H33N3O2/c1-4-23(2,3)15-18-16-24-21(25-18)13-10-17-8-11-19(12-9-17)26-14-6-5-7-20(26)22(27)28/h8-9,11-12,16,20H,4-7,10,13-15H2,1-3H3,(H,24,25)(H,27,28)/t20-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human BRS3


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50316914
PNG
(5-((4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2nnn[nH]2)[nH]1
Show InChI InChI=1S/C25H30N6O/c1-4-25(2,3)15-20-16-26-23(27-20)14-11-18-9-12-19(13-10-18)21-7-5-6-8-22(21)32-17-24-28-30-31-29-24/h5-10,12-13,16H,4,11,14-15,17H2,1-3H3,(H,26,27)(H,28,29,30,31)
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n/an/a 5.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human BRS3


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400251
PNG
(CHEMBL2179914)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2S/c1-22(2,3)16-9-11-17(12-10-16)32(30,31)29-14-15-8-13-20(23(24,25)26)28-21(15)27-18-6-4-5-7-19(18)29/h4-13H,14H2,1-3H3,(H,27,28)
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400241
PNG
(CHEMBL2179478)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C#N)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O2S/c1-15-5-11-20-22(16(15)2)32(13-17-6-12-21(25(26,27)28)31-23(17)30-20)35(33,34)19-9-7-18(8-10-19)24(3,4)14-29/h5-12H,13H2,1-4H3,(H,30,31)
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400242
PNG
(CHEMBL2179477)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)F)C(F)(F)F
Show InChI InChI=1S/C24H23F4N3O2S/c1-14-5-11-19-21(15(14)2)31(13-16-6-12-20(24(26,27)28)30-22(16)29-19)34(32,33)18-9-7-17(8-10-18)23(3,4)25/h5-12H,13H2,1-4H3,(H,29,30)
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400252
PNG
(CHEMBL2179913)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-15-5-11-19-20(13-15)30(14-16-6-12-21(24(25,26)27)29-22(16)28-19)33(31,32)18-9-7-17(8-10-18)23(2,3)4/h5-13H,14H2,1-4H3,(H,28,29)
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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50316911
PNG
(5-((4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2OCc2n[nH]c(=S)[nH]2)[nH]1
Show InChI InChI=1S/C26H31N5OS/c1-4-26(2,3)15-20-16-27-23(28-20)14-11-18-9-12-19(13-10-18)21-7-5-6-8-22(21)32-17-24-29-25(33)31-30-24/h5-10,12-13,16H,4,11,14-15,17H2,1-3H3,(H,27,28)(H2,29,30,31,33)
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n/an/a 6.10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human BRS3


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50316906
PNG
((R)-1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-y...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)N2CCCC[C@@H]2c2nnn[nH]2)[nH]1
Show InChI InChI=1S/C23H33N7/c1-4-23(2,3)15-18-16-24-21(25-18)13-10-17-8-11-19(12-9-17)30-14-6-5-7-20(30)22-26-28-29-27-22/h8-9,11-12,16,20H,4-7,10,13-15H2,1-3H3,(H,24,25)(H,26,27,28,29)/t20-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human BRS3


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50314972
PNG
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(C)n2)[nH]1
Show InChI InChI=1S/C23H29N3/c1-5-23(3,4)15-20-16-24-22(26-20)14-11-18-9-12-19(13-10-18)21-8-6-7-17(2)25-21/h6-10,12-13,16H,5,11,14-15H2,1-4H3,(H,24,26)
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n/an/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400245
PNG
(CHEMBL2179474)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6N3O2S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(22(26,27)28)30-20(14)29-17)34(32,33)16-7-5-15(6-8-16)21(23,24)25/h3-10H,11H2,1-2H3,(H,29,30)
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n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50314974
PNG
(6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(N)n2)[nH]1
Show InChI InChI=1S/C22H28N4/c1-4-22(2,3)14-18-15-24-21(25-18)13-10-16-8-11-17(12-9-16)19-6-5-7-20(23)26-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H2,23,26)(H,24,25)
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n/an/a 7.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50314970
PNG
(3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)14-20-16-24-21(25-20)12-9-17-7-10-18(11-8-17)19-6-5-13-23-15-19/h5-8,10-11,13,15-16H,4,9,12,14H2,1-3H3,(H,24,25)
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n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50394607
PNG
(CHEMBL2164225)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O4S/c1-23(2,37)22-34-21(35-40-22)16-4-3-5-17-19(16)36(12-13-6-11-18(25(29,30)31)33-20(13)32-17)41(38,39)15-9-7-14(8-10-15)24(26,27)28/h3-11,37H,12H2,1-2H3,(H,32,33)
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400255
PNG
(CHEMBL2179910)
Show SMILES Cc1ccc2Nc3nc(Cl)c(F)cc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H25ClFN3O2S/c1-14-6-11-20-21(15(14)2)29(13-16-12-19(26)22(25)28-23(16)27-20)32(30,31)18-9-7-17(8-10-18)24(3,4)5/h6-12H,13H2,1-5H3,(H,27,28)
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n/an/a 8.90n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400239
PNG
(CHEMBL2179480)
Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(s1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O2S2/c1-10-3-5-13-17(11(10)2)29(33(30,31)16-8-7-15(32-16)20(24,25)26)9-12-4-6-14(19(21,22)23)28-18(12)27-13/h3-8H,9H2,1-2H3,(H,27,28)
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50400259
PNG
(CHEMBL2179484)
Show SMILES Cc1ccc2CN(c3c(C)c(C)ccc3Nc2n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29N3O2S/c1-16-7-14-22-23(18(16)3)28(15-19-9-8-17(2)26-24(19)27-22)31(29,30)21-12-10-20(11-13-21)25(4,5)6/h7-14H,15H2,1-6H3,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc...


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50316915
PNG
(9-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc-3c(CNC(=O)c4ccccc-34)c2)[nH]1
Show InChI InChI=1S/C25H29N3O/c1-4-25(2,3)14-19-16-26-23(28-19)12-10-17-9-11-20-18(13-17)15-27-24(29)22-8-6-5-7-21(20)22/h5-9,11,13,16H,4,10,12,14-15H2,1-3H3,(H,26,28)(H,27,29)
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n/an/a 10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human BRS3


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50314979
PNG
(4-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cnsc2)[nH]1
Show InChI InChI=1S/C20H25N3S/c1-4-20(2,3)11-18-13-21-19(23-18)10-7-15-5-8-16(9-6-15)17-12-22-24-14-17/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,23)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50314977
PNG
(5-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccns2)[nH]1
Show InChI InChI=1S/C20H25N3S/c1-4-20(2,3)13-17-14-21-19(23-17)10-7-15-5-8-16(9-6-15)18-11-12-22-24-18/h5-6,8-9,11-12,14H,4,7,10,13H2,1-3H3,(H,21,23)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50336888
PNG
(2-[4-(1H-pyrazol-1-yl)phenyl]-1-(4-{[1-(trifluorom...)
Show SMILES CC(O)(Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C20H21F3N4O/c1-18(28,14-3-5-16(6-4-14)27-10-2-9-25-27)12-17-24-13-15(26-17)11-19(7-8-19)20(21,22)23/h2-6,9-10,13,28H,7-8,11-12H2,1H3,(H,24,26)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3


Citation and Details
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
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n/an/a 11n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human BRS3


Citation and Details
More data for this
Ligand-Target Pair
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