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Compile Data Set for Download or QSAR

Found 24 hits of ec50 data for polymerid = 49000346,49000347,49000349   
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
CCKBR


(RAT)
BDBM82235
PNG
(Gastrin I | Gastrin-17 | Gastrin-I-(1-17))
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C94H128N22O31S2/c1-48(79(133)113-65(43-50-19-21-52(117)22-20-50)80(134)100-47-71(119)103-66(44-51-46-99-54-15-8-7-14-53(51)54)89(143)109-61(35-40-148-2)88(142)114-67(45-77(130)131)90(144)112-64(78(95)132)42-49-12-5-4-6-13-49)101-81(135)56(24-30-72(120)121)104-83(137)57(25-31-73(122)123)105-84(138)58(26-32-74(124)125)106-85(139)59(27-33-75(126)127)107-86(140)60(28-34-76(128)129)108-87(141)62(36-41-149-3)110-91(145)68-17-10-38-115(68)93(147)69-18-11-39-116(69)92(146)63(16-9-37-98-94(96)97)111-82(136)55-23-29-70(118)102-55/h4-8,12-15,19-22,46,48,55-69,99,117H,9-11,16-18,23-45,47H2,1-3H3,(H2,95,132)(H,100,134)(H,101,135)(H,102,118)(H,103,119)(H,104,137)(H,105,138)(H,106,139)(H,107,140)(H,108,141)(H,109,143)(H,110,145)(H,111,136)(H,112,144)(H,113,133)(H,114,142)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H4,96,97,98)/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
KEGG

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n/an/an/an/a 0.170n/an/an/an/a



University Medical Centre Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at gastrin receptor in rat AR4-2J cells assessed as intracellular calcium mobilization by fluorescence assay


J Med Chem 54: 2602-9 (2011)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50348753
PNG
(CHEMBL1806528)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C74H103N19O23S/c1-42(81-69(111)50(17-20-58(76)96)84-71(113)51(18-21-59(77)97)85-70(112)49(16-19-57(75)95)82-61(99)38-90-23-25-91(39-63(102)103)27-29-93(41-65(106)107)30-28-92(26-24-90)40-64(104)105)67(109)88-54(33-44-12-14-46(94)15-13-44)68(110)80-37-60(98)83-55(34-45-36-79-48-11-7-6-10-47(45)48)73(115)86-52(22-31-117-2)72(114)89-56(35-62(100)101)74(116)87-53(66(78)108)32-43-8-4-3-5-9-43/h3-15,36,42,49-56,79,94H,16-35,37-41H2,1-2H3,(H2,75,95)(H2,76,96)(H2,77,97)(H2,78,108)(H,80,110)(H,81,111)(H,82,99)(H,83,98)(H,84,113)(H,85,112)(H,86,115)(H,87,116)(H,88,109)(H,89,114)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t42-,49+,50+,51+,52-,53-,54-,55-,56-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



University Medical Centre Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at gastrin receptor in rat AR4-2J cells assessed as intracellular calcium mobilization by fluorescence assay


J Med Chem 54: 2602-9 (2011)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50348752
PNG
(CHEMBL1807150)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C71H103N13O23S/c1-48(73-17-26-102-27-28-103-29-30-104-31-32-105-33-34-106-35-36-107-65(95)47-84-24-22-82(45-63(91)92)20-18-81(44-62(89)90)19-21-83(23-25-84)46-64(93)94)67(97)79-57(39-50-12-14-52(85)15-13-50)68(98)75-43-60(86)76-58(40-51-42-74-54-11-7-6-10-53(51)54)70(100)77-55(16-37-108-2)69(99)80-59(41-61(87)88)71(101)78-56(66(72)96)38-49-8-4-3-5-9-49/h3-15,42,48,55-59,73-74,85H,16-41,43-47H2,1-2H3,(H2,72,96)(H,75,98)(H,76,86)(H,77,100)(H,78,101)(H,79,97)(H,80,99)(H,87,88)(H,89,90)(H,91,92)(H,93,94)/t48-,55-,56-,57-,58-,59-/m0/s1
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n/an/an/an/a 0.330n/an/an/an/a



University Medical Centre Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at gastrin receptor in rat AR4-2J cells assessed as intracellular calcium mobilization by fluorescence assay


J Med Chem 54: 2602-9 (2011)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092405
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-((S)-2-{[...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50348756
PNG
(CHEMBL1806532)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C89H127N25O29S/c1-48(79(133)109-63(39-50-12-14-52(115)15-13-50)80(134)98-43-72(122)101-64(40-51-42-97-54-11-7-6-10-53(51)54)88(142)107-61(28-37-144-2)87(141)110-65(41-74(124)125)89(143)108-62(78(96)132)38-49-8-4-3-5-9-49)99-81(135)56(17-23-67(91)117)102-83(137)58(19-25-69(93)119)104-85(139)60(21-27-71(95)121)106-86(140)59(20-26-70(94)120)105-84(138)57(18-24-68(92)118)103-82(136)55(16-22-66(90)116)100-73(123)44-111-29-31-112(45-75(126)127)33-35-114(47-77(130)131)36-34-113(32-30-111)46-76(128)129/h3-15,42,48,55-65,97,115H,16-41,43-47H2,1-2H3,(H2,90,116)(H2,91,117)(H2,92,118)(H2,93,119)(H2,94,120)(H2,95,121)(H2,96,132)(H,98,134)(H,99,135)(H,100,123)(H,101,122)(H,102,137)(H,103,136)(H,104,139)(H,105,138)(H,106,140)(H,107,142)(H,108,143)(H,109,133)(H,110,141)(H,124,125)(H,126,127)(H,128,129)(H,130,131)/t48-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-/m0/s1
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n/an/an/an/a 0.410n/an/an/an/a



University Medical Centre Ljubljana

Curated by ChEMBL


Assay Description
Agonist activity at gastrin receptor in rat AR4-2J cells assessed as intracellular calcium mobilization by fluorescence assay


J Med Chem 54: 2602-9 (2011)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092408
PNG
(CHEMBL120150 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H42N6O10S/c1-3-4-14-27(32(45)38-25(17-29(41)42)31(44)37-24(30(34)43)15-20-10-6-5-7-11-20)39(2)33(46)26(36-28(40)19-50(47,48)49)16-21-18-35-23-13-9-8-12-22(21)23/h5-13,18,24-27,35H,3-4,14-17,19H2,1-2H3,(H2,34,43)(H,36,40)(H,37,44)(H,38,45)(H,41,42)(H,47,48,49)/t24-,25-,26-,27-/m0/s1
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n/an/an/an/a 0.560n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 0.630n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor


J Med Chem 40: 647-58 (1997)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 0.630n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50002477
PNG
((S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26-,27-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50024317
PNG
(3-{2-[2-Amino-3-(1H-indol-3-yl)-propionylamino]-4-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092384
PNG
(CHEMBL100538 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O9/c1-3-4-14-28(34(49)40-26(19-31(45)46)33(48)39-25(32(36)47)17-21-10-6-5-7-11-21)41(2)35(50)27(38-29(42)15-16-30(43)44)18-22-20-37-24-13-9-8-12-23(22)24/h5-13,20,25-28,37H,3-4,14-19H2,1-2H3,(H2,36,47)(H,38,42)(H,39,48)(H,40,49)(H,43,44)(H,45,46)/t25-,26-,27-,28-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056453
PNG
(3-(2-{[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl...)
Show SMILES CCCCC(N(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)
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n/an/an/an/a 1.5n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor


J Med Chem 40: 647-58 (1997)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092398
PNG
((S)-3-((S)-2-{[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H48N6O8/c1-6-7-17-29(33(47)40-27(20-30(43)44)32(46)39-26(31(37)45)18-22-13-9-8-10-14-22)42(5)34(48)28(41-35(49)50-36(2,3)4)19-23-21-38-25-16-12-11-15-24(23)25/h8-16,21,26-29,38H,6-7,17-20H2,1-5H3,(H2,37,45)(H,39,46)(H,40,47)(H,41,49)(H,43,44)/t26-,27-,28-,29-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092391
PNG
(3-(2-{[2-(2-Carbamoyl-acetylamino)-3-(1H-indol-3-y...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H43N7O8/c1-3-4-14-27(33(48)40-25(17-30(44)45)32(47)39-24(31(36)46)15-20-10-6-5-7-11-20)41(2)34(49)26(38-29(43)18-28(35)42)16-21-19-37-23-13-9-8-12-22(21)23/h5-13,19,24-27,37H,3-4,14-18H2,1-2H3,(H2,35,42)(H2,36,46)(H,38,43)(H,39,47)(H,40,48)(H,44,45)/t24-,25-,26-,27-/m0/s1
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n/an/an/an/a 1.64n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092389
PNG
(CHEMBL321456 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)OC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O9/c1-4-5-15-28(34(48)40-26(18-30(43)44)33(47)39-25(32(36)46)16-21-11-7-6-8-12-21)41(2)35(49)27(38-29(42)19-31(45)50-3)17-22-20-37-24-14-10-9-13-23(22)24/h6-14,20,25-28,37H,4-5,15-19H2,1-3H3,(H2,36,46)(H,38,42)(H,39,47)(H,40,48)(H,43,44)/t25-,26-,27-,28-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092399
PNG
(3-(2-{[2-(2-Benzylcarbamoyl-acetylamino)-3-(1H-ind...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C41H49N7O8/c1-3-4-19-34(40(55)47-32(22-37(51)52)39(54)46-31(38(42)53)20-26-13-7-5-8-14-26)48(2)41(56)33(21-28-25-43-30-18-12-11-17-29(28)30)45-36(50)23-35(49)44-24-27-15-9-6-10-16-27/h5-18,25,31-34,43H,3-4,19-24H2,1-2H3,(H2,42,53)(H,44,49)(H,45,50)(H,46,54)(H,47,55)(H,51,52)/t31-,32-,33-,34-/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092393
PNG
(3-(2-{[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-su...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C53H71N9O15S/c1-7-9-19-38(58-48(68)40(61-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75)47(67)56-31-44(63)57-42(28-34-30-55-37-20-15-14-18-36(34)37)51(71)62(6)43(21-10-8-2)50(70)60-41(29-45(64)65)49(69)59-39(46(54)66)26-32-16-12-11-13-17-32/h11-18,20,22-25,30,38-43,55H,7-10,19,21,26-29,31H2,1-6H3,(H2,54,66)(H,56,67)(H,57,63)(H,58,68)(H,59,69)(H,60,70)(H,61,72)(H,64,65)(H,73,74,75)/t38-,39-,40-,41-,42-,43-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056448
PNG
(CHEMBL2371221 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{...)
Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H46N6O7/c1-36(21-24-22-38-26-16-12-11-15-25(24)26)35(49)41-27(17-9-4-2-3-5-10-18-30(43)42-36)33(47)40-29(20-31(44)45)34(48)39-28(32(37)46)19-23-13-7-6-8-14-23/h6-8,11-16,22,27-29,38H,2-5,9-10,17-21H2,1H3,(H2,37,46)(H,39,48)(H,40,47)(H,41,49)(H,42,43)(H,44,45)/t27-,28+,29+,36-/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor


J Med Chem 40: 647-58 (1997)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092401
PNG
(CHEMBL177799 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[...)
Show SMILES C[C@@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O7/c1-35(20-23-21-37-25-15-11-10-14-24(23)25)34(48)40-26(16-8-3-2-4-9-17-29(42)41-35)32(46)39-28(19-30(43)44)33(47)38-27(31(36)45)18-22-12-6-5-7-13-22/h5-7,10-15,21,26-28,37H,2-4,8-9,16-20H2,1H3,(H2,36,45)(H,38,47)(H,39,46)(H,40,48)(H,41,42)(H,43,44)/t26-,27-,28-,35-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056455
PNG
(CHEMBL348344 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[...)
Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@@H](NC1=O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H42N6O7S2/c1-34(19-22-20-36-24-12-6-5-11-23(22)24)33(47)39-25(14-16-49-48-15-8-7-13-28(41)40-34)31(45)38-27(18-29(42)43)32(46)37-26(30(35)44)17-21-9-3-2-4-10-21/h2-6,9-12,20,25-27,36H,7-8,13-19H2,1H3,(H2,35,44)(H,37,46)(H,38,45)(H,39,47)(H,40,41)(H,42,43)/t25-,26?,27?,34-/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor


J Med Chem 40: 647-58 (1997)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50056449
PNG
(CHEMBL2371222 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{...)
Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H44N6O7/c1-35(20-23-21-37-25-15-11-10-14-24(23)25)34(48)40-26(16-8-3-2-4-9-17-29(42)41-35)32(46)39-28(19-30(43)44)33(47)38-27(31(36)45)18-22-12-6-5-7-13-22/h5-7,10-15,21,26-28,37H,2-4,8-9,16-20H2,1H3,(H2,36,45)(H,38,47)(H,39,46)(H,40,48)(H,41,42)(H,43,44)/t26-,27+,28+,35-/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor


J Med Chem 40: 647-58 (1997)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50092395
PNG
(3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C60H81N11O17S/c1-6-8-20-41-52(76)64-43(23-15-16-28-62-49(72)32-47(71-59(83)87-60(3,4)5)57(81)68-45(55(79)65-41)30-36-24-26-38(27-25-36)88-89(84,85)86)54(78)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(80)66-42(21-9-7-2)53(77)70-48(33-50(73)74)58(82)67-44(51(61)75)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33H2,1-5H3,(H2,61,75)(H,62,72)(H,64,76)(H,65,79)(H,66,80)(H,67,82)(H,68,81)(H,69,78)(H,70,77)(H,71,83)(H,73,74)(H,84,85,86)/t41-,42-,43+,44-,45+,46-,47-,48-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.


J Med Chem 43: 3614-23 (2000)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50026690
PNG
(2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



NCI-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Tested for the 50% inhibition level against [125I]- gastrin binding in AR42J cells


J Med Chem 37: 3812-8 (1994)

More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50037873
PNG
(CBS-2 | CHEMBL341130)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl
Show InChI InChI=1S/C27H31ClN6O5/c28-13-15-31-33-34(18-19-6-2-1-3-7-19)26(37)11-10-24(35)29-14-12-25(36)32-23(27(38)39)16-20-17-30-22-9-5-4-8-21(20)22/h1-9,17,23,30H,10-16,18H2,(H,29,35)(H,32,36)(H,38,39)
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n/an/an/an/a 2.00E+5n/an/an/an/a



NCI-Frederick Cancer Research and Development Center

Curated by ChEMBL


Assay Description
Tested for the 50% inhibition level against [125I]- gastrin binding in AR42J cells


J Med Chem 37: 3812-8 (1994)

More data for this
Ligand-Target Pair