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Compile Data Set for Download or QSAR

Found 151 hits of ec50 data for polymerid = 2126,49000346,49000349   
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/cholecystokinin type B receptor


(Homo sapiens (Human))		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 0.0930n/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-8 from CCK2 receptor in human FGS7 Jurkat cells

J Nat Prod 69: 432-5 (2006)


Article DOI: 10.1021/np058114h
BindingDB Entry DOI: 10.7270/Q2V98907
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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 |r,wU:4.4,138.143,38.41,52.60,70.78,88.95,96.98,wD:8.20,130.135,26.37,43.51,61.69,79.87,103.106,110.122,121.125,(26,6.14,;24.67,5.35,;24.67,3.8,;23.32,3.01,;23.32,1.49,;22,.73,;20.68,1.49,;20.68,3.04,;19.35,.73,;19.35,-.76,;20.68,-1.52,;21.94,-.7,;23.15,-1.69,;22.59,-3.1,;23.29,-4.48,;22.45,-5.77,;20.9,-5.71,;20.2,-4.31,;21.04,-2.98,;18,1.49,;16.68,.7,;16.68,-.76,;15.36,1.49,;14.03,.7,;12.68,1.46,;12.68,3.01,;11.36,.68,;11.36,-.79,;12.71,-1.55,;12.71,-3.1,;14.03,-3.86,;15.36,-3.07,;16.71,-3.86,;15.36,-1.55,;14.03,-.79,;10.01,1.44,;8.66,.68,;8.66,-.82,;7.33,1.44,;7.3,2.98,;6.01,.65,;4.66,1.44,;4.66,2.98,;3.34,.65,;3.34,-.84,;4.66,-1.6,;4.66,-3.15,;6.01,-3.91,;3.34,-3.91,;2.01,1.44,;.66,.65,;.66,-.84,;-.61,1.44,;-.61,2.96,;.66,3.74,;.66,5.32,;2.01,6.11,;-.61,6.11,;-1.93,.65,;-3.28,1.41,;-3.28,2.96,;-4.6,.65,;-4.6,-.84,;-3.28,-1.6,;-3.28,-3.15,;-1.93,-3.94,;-4.6,-3.94,;-5.93,1.41,;-7.28,.65,;-7.28,-.84,;-8.6,1.44,;-8.6,2.96,;-7.28,3.74,;-7.28,5.32,;-5.93,6.11,;-8.6,6.11,;-9.95,.65,;-11.33,1.44,;-11.33,2.98,;-12.65,.65,;-12.65,-.82,;-11.33,-1.6,;-11.33,-3.15,;-9.95,-3.94,;-12.65,-3.91,;-13.98,1.44,;-15.33,.68,;-15.33,-.79,;-16.65,1.44,;-16.65,2.96,;-15.3,3.77,;-15.3,5.29,;-13.98,6.08,;-17.97,.68,;-19.32,1.44,;-19.32,2.98,;-20.62,.68,;-19.69,1.83,;-20.39,3.26,;-21.91,2.96,;-21.91,1.44,;-23.24,.68,;-23.24,-.96,;-24.7,1.52,;-23.97,.34,;-24.56,-.98,;-26.16,-.7,;-26.16,.68,;-27.52,1.44,;-27.52,2.98,;-28.84,.68,;-28.84,-.82,;-27.52,-1.55,;-27.52,-3.1,;-26.14,-3.86,;-26.11,-5.4,;-27.52,-6.16,;-24.78,-6.16,;-30.19,1.44,;-31.51,.68,;-31.51,-.82,;-32.84,1.41,;-31.85,.28,;-32.55,-1.1,;-34.07,-.79,;-35.37,-1.58,;-34.07,.68,;24.67,.73,;24.67,-.73,;26,1.49,;27.35,.7,;27.35,-.76,;28.7,-1.55,;30.02,-.76,;28.7,-3.07,;28.7,1.49,;28.7,3.04,;30.02,.7,;31.34,1.49,;31.34,3.01,;32.7,3.83,;32.7,5.38,;34.02,6.16,;35.37,5.38,;35.37,3.83,;34.02,3.01,;32.7,.7,;34.02,1.49,;32.7,-.76,)|
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
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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)


Article DOI: 10.1021/jm101279a
BindingDB Entry DOI: 10.7270/Q2668DK5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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 |r|
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)


Article DOI: 10.1021/jm101279a
BindingDB Entry DOI: 10.7270/Q2668DK5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517367
PNG
(CHEMBL4468861)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C85H123N13O30S/c1-2-3-26-61(80(114)98-68(50-77(110)111)84(118)96-64(78(86)112)46-55-23-17-16-18-24-55)94-82(116)66(48-57-51-89-60-27-22-21-25-59(57)60)92-71(101)52-90-79(113)62(35-37-75(106)107)95-81(115)65(47-56-30-32-58(33-31-56)128-129(121,122)123)97-83(117)67(49-76(108)109)93-73(103)54-127-45-43-125-41-39-88-72(102)53-126-44-42-124-40-38-87-69(99)36-34-63(85(119)120)91-70(100)28-19-14-12-10-8-6-4-5-7-9-11-13-15-20-29-74(104)105/h16-18,21-25,27,30-33,51,61-68,89H,2-15,19-20,26,28-29,34-50,52-54H2,1H3,(H2,86,112)(H,87,99)(H,88,102)(H,90,113)(H,91,100)(H,92,101)(H,93,103)(H,94,116)(H,95,115)(H,96,118)(H,97,117)(H,98,114)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
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n/an/an/an/a 0.295n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517352
PNG
(CHEMBL4570130)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C87H129N13O28S/c1-4-5-28-64(82(114)100-71(53-79(110)111)86(118)97-66(80(88)112)49-58-25-19-18-20-26-58)96-84(116)69(51-60-54-92-63-29-24-23-27-62(60)63)94-74(103)38-39-91-81(113)67(48-57(2)3)98-83(115)68(50-59-32-34-61(35-33-59)128-129(121,122)123)99-85(117)70(52-78(108)109)95-76(105)56-127-47-45-125-43-41-90-75(104)55-126-46-44-124-42-40-89-72(101)37-36-65(87(119)120)93-73(102)30-21-16-14-12-10-8-6-7-9-11-13-15-17-22-31-77(106)107/h18-20,23-27,29,32-35,54,57,64-71,92H,4-17,21-22,28,30-31,36-53,55-56H2,1-3H3,(H2,88,112)(H,89,101)(H,90,104)(H,91,113)(H,93,102)(H,94,103)(H,95,105)(H,96,116)(H,97,118)(H,98,115)(H,99,117)(H,100,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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n/an/an/an/a 0.316n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517332
PNG
(CHEMBL4522865)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C86H127N13O29S/c1-3-5-24-63(80(113)91-53-73(103)93-68(49-58-52-90-62-26-22-21-23-61(58)62)83(116)96-64(25-6-4-2)81(114)99-70(51-78(110)111)85(118)97-66(79(87)112)47-56-29-33-59(100)34-30-56)95-82(115)67(48-57-31-35-60(36-32-57)128-129(121,122)123)98-84(117)69(50-77(108)109)94-75(105)55-127-46-44-125-42-40-89-74(104)54-126-45-43-124-41-39-88-71(101)38-37-65(86(119)120)92-72(102)27-19-17-15-13-11-9-7-8-10-12-14-16-18-20-28-76(106)107/h21-23,26,29-36,52,63-70,90,100H,3-20,24-25,27-28,37-51,53-55H2,1-2H3,(H2,87,112)(H,88,101)(H,89,104)(H,91,113)(H,92,102)(H,93,103)(H,94,105)(H,95,115)(H,96,116)(H,97,118)(H,98,117)(H,99,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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n/an/an/an/a 0.324n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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 |r|
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)


Article DOI: 10.1021/jm101279a
BindingDB Entry DOI: 10.7270/Q2668DK5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517335
PNG
(CHEMBL4547294)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C86H128N13O28P/c1-3-5-29-63(80(112)91-54-73(102)93-68(50-59-53-90-62-31-25-24-28-61(59)62)83(115)96-64(30-6-4-2)81(113)99-70(52-78(109)110)85(117)97-66(79(87)111)48-57-26-20-19-21-27-57)95-82(114)67(49-58-34-36-60(37-35-58)127-128(120,121)122)98-84(116)69(51-77(107)108)94-75(104)56-126-47-45-124-43-41-89-74(103)55-125-46-44-123-42-40-88-71(100)39-38-65(86(118)119)92-72(101)32-22-17-15-13-11-9-7-8-10-12-14-16-18-23-33-76(105)106/h19-21,24-28,31,34-37,53,63-70,90H,3-18,22-23,29-30,32-33,38-52,54-56H2,1-2H3,(H2,87,111)(H,88,100)(H,89,103)(H,91,112)(H,92,101)(H,93,102)(H,94,104)(H,95,114)(H,96,115)(H,97,117)(H,98,116)(H,99,113)(H,105,106)(H,107,108)(H,109,110)(H,118,119)(H2,120,121,122)/t63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517351
PNG
(CHEMBL4516868)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C89H131N13O28S/c1-3-5-30-65(82(114)100-72(55-80(111)112)86(118)98-68(81(90)113)51-59-27-20-19-21-28-59)96-84(116)70(53-61-56-93-64-32-25-24-29-63(61)64)101-87(119)73-33-26-44-102(73)88(120)66(31-6-4-2)97-83(115)69(52-60-36-38-62(39-37-60)130-131(123,124)125)99-85(117)71(54-79(109)110)95-77(106)58-129-50-48-127-46-43-92-76(105)57-128-49-47-126-45-42-91-74(103)41-40-67(89(121)122)94-75(104)34-22-17-15-13-11-9-7-8-10-12-14-16-18-23-35-78(107)108/h19-21,24-25,27-29,32,36-39,56,65-73,93H,3-18,22-23,26,30-31,33-35,40-55,57-58H2,1-2H3,(H2,90,113)(H,91,103)(H,92,105)(H,94,104)(H,95,106)(H,96,116)(H,97,115)(H,98,118)(H,99,117)(H,100,114)(H,101,119)(H,107,108)(H,109,110)(H,111,112)(H,121,122)(H,123,124,125)/t65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517347
PNG
(CHEMBL4555341)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(=O)CCCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C85H130N14O27/c1-3-5-30-60(79(115)91-53-71(103)93-64(48-57-51-89-59-32-25-24-29-58(57)59)81(117)96-61(31-6-4-2)80(116)98-66(50-77(112)113)83(119)97-63(78(86)114)47-56-27-20-19-21-28-56)95-84(120)67(52-90-68(100)34-26-36-75(108)109)99-82(118)65(49-76(110)111)94-73(105)55-126-46-44-124-42-40-88-72(104)54-125-45-43-123-41-39-87-69(101)38-37-62(85(121)122)92-70(102)33-22-17-15-13-11-9-7-8-10-12-14-16-18-23-35-74(106)107/h19-21,24-25,27-29,32,51,60-67,89H,3-18,22-23,26,30-31,33-50,52-55H2,1-2H3,(H2,86,114)(H,87,101)(H,88,104)(H,90,100)(H,91,115)(H,92,102)(H,93,103)(H,94,105)(H,95,120)(H,96,117)(H,97,119)(H,98,116)(H,99,118)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,121,122)/t60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517382
PNG
(CHEMBL4563364)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C90H129N13O28S/c1-3-5-31-67(84(116)95-56-77(106)97-72(52-62-55-94-66-33-24-23-30-65(62)66)87(119)100-68(32-6-4-2)85(117)103-74(54-82(113)114)89(121)101-70(83(91)115)51-61-28-25-27-60-26-21-22-29-64(60)61)99-86(118)71(50-59-36-38-63(39-37-59)131-132(124,125)126)102-88(120)73(53-81(111)112)98-79(108)58-130-49-47-128-45-43-93-78(107)57-129-48-46-127-44-42-92-75(104)41-40-69(90(122)123)96-76(105)34-19-17-15-13-11-9-7-8-10-12-14-16-18-20-35-80(109)110/h21-30,33,36-39,55,67-74,94H,3-20,31-32,34-35,40-54,56-58H2,1-2H3,(H2,91,115)(H,92,104)(H,93,107)(H,95,116)(H,96,105)(H,97,106)(H,98,108)(H,99,118)(H,100,119)(H,101,121)(H,102,120)(H,103,117)(H,109,110)(H,111,112)(H,113,114)(H,122,123)(H,124,125,126)/t67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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 |r|
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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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)


Article DOI: 10.1021/jm101279a
BindingDB Entry DOI: 10.7270/Q2668DK5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517359
PNG
(CHEMBL4534236)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C88H128N14O28S/c1-3-5-27-65(82(115)94-54-75(105)96-70(49-59-53-93-64-30-24-22-26-62(59)64)85(118)99-66(28-6-4-2)83(116)102-72(51-80(112)113)87(120)100-68(81(89)114)48-58-52-92-63-29-23-21-25-61(58)63)98-84(117)69(47-57-33-35-60(36-34-57)130-131(123,124)125)101-86(119)71(50-79(110)111)97-77(107)56-129-46-44-127-42-40-91-76(106)55-128-45-43-126-41-39-90-73(103)38-37-67(88(121)122)95-74(104)31-19-17-15-13-11-9-7-8-10-12-14-16-18-20-32-78(108)109/h21-26,29-30,33-36,52-53,65-72,92-93H,3-20,27-28,31-32,37-51,54-56H2,1-2H3,(H2,89,114)(H,90,103)(H,91,106)(H,94,115)(H,95,104)(H,96,105)(H,97,107)(H,98,117)(H,99,118)(H,100,120)(H,101,119)(H,102,116)(H,108,109)(H,110,111)(H,112,113)(H,121,122)(H,123,124,125)/t65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517336
PNG
(CHEMBL4459331)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C85H124N14O29S/c1-2-3-26-61(79(113)91-52-72(103)93-66(48-57-51-90-60-27-22-21-25-59(57)60)82(116)96-62(34-36-69(86)100)80(114)99-68(50-77(110)111)84(118)97-64(78(87)112)46-55-23-17-16-18-24-55)95-81(115)65(47-56-30-32-58(33-31-56)128-129(121,122)123)98-83(117)67(49-76(108)109)94-74(105)54-127-45-43-125-41-39-89-73(104)53-126-44-42-124-40-38-88-70(101)37-35-63(85(119)120)92-71(102)28-19-14-12-10-8-6-4-5-7-9-11-13-15-20-29-75(106)107/h16-18,21-25,27,30-33,51,61-68,90H,2-15,19-20,26,28-29,34-50,52-54H2,1H3,(H2,86,100)(H2,87,112)(H,88,101)(H,89,104)(H,91,113)(H,92,102)(H,93,103)(H,94,105)(H,95,115)(H,96,116)(H,97,118)(H,98,117)(H,99,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)		BDBM50024321
PNG
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=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/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a


TBA

Assay Description
Agonist activity at rat CCK2R expressed in rat AR42J cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye based...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01233
BindingDB Entry DOI: 10.7270/Q2P84GJ2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517381
PNG
(CHEMBL4561184)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C89H131N13O30S/c1-3-5-29-64(82(116)98-66(39-41-78(109)110)84(118)101-70(52-60-55-93-63-31-25-24-28-62(60)63)86(120)97-65(30-6-4-2)83(117)102-72(54-80(113)114)88(122)99-68(81(90)115)50-58-26-20-19-21-27-58)96-85(119)69(51-59-34-36-61(37-35-59)132-133(125,126)127)100-87(121)71(53-79(111)112)95-76(106)57-131-49-47-129-45-43-92-75(105)56-130-48-46-128-44-42-91-73(103)40-38-67(89(123)124)94-74(104)32-22-17-15-13-11-9-7-8-10-12-14-16-18-23-33-77(107)108/h19-21,24-28,31,34-37,55,64-72,93H,3-18,22-23,29-30,32-33,38-54,56-57H2,1-2H3,(H2,90,115)(H,91,103)(H,92,105)(H,94,104)(H,95,106)(H,96,119)(H,97,120)(H,98,116)(H,99,122)(H,100,121)(H,101,118)(H,102,117)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,123,124)(H,125,126,127)/t64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517384
PNG
(CHEMBL4443415)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C86H127N13O28S/c1-3-5-29-63(80(112)91-54-73(102)93-68(50-59-53-90-62-31-25-24-28-61(59)62)83(115)96-64(30-6-4-2)81(113)99-70(52-78(109)110)85(117)97-66(79(87)111)48-57-26-20-19-21-27-57)95-82(114)67(49-58-34-36-60(37-35-58)127-128(120,121)122)98-84(116)69(51-77(107)108)94-75(104)56-126-47-45-124-43-41-89-74(103)55-125-46-44-123-42-40-88-71(100)39-38-65(86(118)119)92-72(101)32-22-17-15-13-11-9-7-8-10-12-14-16-18-23-33-76(105)106/h19-21,24-28,31,34-37,53,63-70,90H,3-18,22-23,29-30,32-33,38-52,54-56H2,1-2H3,(H2,87,111)(H,88,100)(H,89,103)(H,91,112)(H,92,101)(H,93,102)(H,94,104)(H,95,114)(H,96,115)(H,97,117)(H,98,116)(H,99,113)(H,105,106)(H,107,108)(H,109,110)(H,118,119)(H,120,121,122)/t63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517379
PNG
(CHEMBL4453982)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C87H129N13O27S/c1-4-5-28-64(82(114)100-71(51-79(110)111)86(118)97-66(80(88)112)47-58-25-19-18-20-26-58)96-84(116)69(49-61-52-91-63-29-24-23-27-62(61)63)94-74(103)53-92-81(113)67(46-57(2)3)98-83(115)68(48-59-32-34-60(35-33-59)56-128(121,122)123)99-85(117)70(50-78(108)109)95-76(105)55-127-45-43-125-41-39-90-75(104)54-126-44-42-124-40-38-89-72(101)37-36-65(87(119)120)93-73(102)30-21-16-14-12-10-8-6-7-9-11-13-15-17-22-31-77(106)107/h18-20,23-27,29,32-35,52,57,64-71,91H,4-17,21-22,28,30-31,36-51,53-56H2,1-3H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,116)(H,97,118)(H,98,115)(H,99,117)(H,100,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517370
PNG
(CHEMBL4451154)
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]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C97H124N20O31S/c1-49(2)39-68(114-95(146)71(43-54-46-100-59-18-11-9-16-57(54)59)116-97(148)73-19-12-37-117(73)76(121)48-102-85(136)60-24-30-74(119)104-60)93(144)110-65(29-35-81(130)131)91(142)109-64(28-34-80(128)129)90(141)108-63(27-33-79(126)127)89(140)107-62(26-32-78(124)125)88(139)106-61(25-31-77(122)123)87(138)103-50(3)84(135)113-69(41-52-20-22-55(118)23-21-52)86(137)101-47-75(120)105-70(42-53-45-99-58-17-10-8-15-56(53)58)94(145)111-66(36-38-149-4)92(143)115-72(44-82(132)133)96(147)112-67(83(98)134)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,60-73,99-100,118H,12,19,24-44,47-48H2,1-4H3,(H2,98,134)(H,101,137)(H,102,136)(H,103,138)(H,104,119)(H,105,120)(H,106,139)(H,107,140)(H,108,141)(H,109,142)(H,110,144)(H,111,145)(H,112,147)(H,113,135)(H,114,146)(H,115,143)(H,116,148)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517339
PNG
(CHEMBL4551834)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C87H129N13O28S/c1-5-6-29-64(82(114)99-70(52-79(110)111)86(118)100(4)71(80(88)112)49-58-26-20-19-21-27-58)96-84(116)68(50-60-53-91-63-30-25-24-28-62(60)63)94-74(103)54-92-81(113)66(47-57(2)3)97-83(115)67(48-59-33-35-61(36-34-59)128-129(121,122)123)98-85(117)69(51-78(108)109)95-76(105)56-127-46-44-125-42-40-90-75(104)55-126-45-43-124-41-39-89-72(101)38-37-65(87(119)120)93-73(102)31-22-17-15-13-11-9-7-8-10-12-14-16-18-23-32-77(106)107/h19-21,24-28,30,33-36,53,57,64-71,91H,5-18,22-23,29,31-32,37-52,54-56H2,1-4H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,116)(H,97,115)(H,98,117)(H,99,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517362
PNG
(CHEMBL4565336)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C86H127N13O28S/c1-4-5-28-63(81(113)99-70(51-78(109)110)85(117)96-65(79(87)111)47-57-25-19-18-20-26-57)95-83(115)68(49-59-52-90-62-29-24-23-27-61(59)62)93-73(102)53-91-80(112)66(46-56(2)3)97-82(114)67(48-58-32-34-60(35-33-58)127-128(120,121)122)98-84(116)69(50-77(107)108)94-75(104)55-126-45-43-124-41-39-89-74(103)54-125-44-42-123-40-38-88-71(100)37-36-64(86(118)119)92-72(101)30-21-16-14-12-10-8-6-7-9-11-13-15-17-22-31-76(105)106/h18-20,23-27,29,32-35,52,56,63-70,90H,4-17,21-22,28,30-31,36-51,53-55H2,1-3H3,(H2,87,111)(H,88,100)(H,89,103)(H,91,112)(H,92,101)(H,93,102)(H,94,104)(H,95,115)(H,96,117)(H,97,114)(H,98,116)(H,99,113)(H,105,106)(H,107,108)(H,109,110)(H,118,119)(H,120,121,122)/t63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		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 0.501n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


Article DOI: 10.1021/jm9603072
BindingDB Entry DOI: 10.7270/Q2PG1SDX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517331
PNG
(CHEMBL4467338)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C86H127N13O28S/c1-4-6-29-63(80(112)91-53-72(102)93-67(49-59-52-90-62-30-25-24-28-61(59)62)84(116)99-78(56(3)5-2)85(117)98-69(51-77(109)110)83(115)96-65(79(87)111)47-57-26-20-19-21-27-57)95-81(113)66(48-58-33-35-60(36-34-58)127-128(120,121)122)97-82(114)68(50-76(107)108)94-74(104)55-126-46-44-124-42-40-89-73(103)54-125-45-43-123-41-39-88-70(100)38-37-64(86(118)119)92-71(101)31-22-17-15-13-11-9-7-8-10-12-14-16-18-23-32-75(105)106/h19-21,24-28,30,33-36,52,56,63-69,78,90H,4-18,22-23,29,31-32,37-51,53-55H2,1-3H3,(H2,87,111)(H,88,100)(H,89,103)(H,91,112)(H,92,101)(H,93,102)(H,94,104)(H,95,113)(H,96,115)(H,97,114)(H,98,117)(H,99,116)(H,105,106)(H,107,108)(H,109,110)(H,118,119)(H,120,121,122)/t56-,63-,64-,65-,66-,67-,68-,69-,78-/m0/s1
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n/an/an/an/a 0.631n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517350
PNG
(CHEMBL4445353)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C90H136N14O28S/c1-3-5-31-66(83(116)98-68(34-26-27-43-91)85(118)103-72(54-62-57-95-65-33-25-24-30-64(62)65)87(120)100-67(32-6-4-2)84(117)104-74(56-81(113)114)89(122)101-70(82(92)115)52-60-28-20-19-21-29-60)99-86(119)71(53-61-37-39-63(40-38-61)132-133(125,126)127)102-88(121)73(55-80(111)112)97-78(108)59-131-51-49-129-47-45-94-77(107)58-130-50-48-128-46-44-93-75(105)42-41-69(90(123)124)96-76(106)35-22-17-15-13-11-9-7-8-10-12-14-16-18-23-36-79(109)110/h19-21,24-25,28-30,33,37-40,57,66-74,95H,3-18,22-23,26-27,31-32,34-36,41-56,58-59,91H2,1-2H3,(H2,92,115)(H,93,105)(H,94,107)(H,96,106)(H,97,108)(H,98,116)(H,99,119)(H,100,120)(H,101,122)(H,102,121)(H,103,118)(H,104,117)(H,109,110)(H,111,112)(H,113,114)(H,123,124)(H,125,126,127)/t66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
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n/an/an/an/a 0.832n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)		BDBM50549228
PNG
(CHEMBL4758706)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(O)=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](Cc1cccc2ccccc12)C(N)=O |r|
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TBA

Assay Description
Agonist activity at rat CCK2R expressed in rat AR42J cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye based...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01233
BindingDB Entry DOI: 10.7270/Q2P84GJ2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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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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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517363
PNG
(CHEMBL4471871)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C87H129N13O28S/c1-5-6-29-64(86(118)100(4)71(52-79(110)111)85(117)97-66(80(88)112)48-58-26-20-19-21-27-58)96-83(115)69(50-60-53-91-63-30-25-24-28-62(60)63)94-74(103)54-92-81(113)67(47-57(2)3)98-82(114)68(49-59-33-35-61(36-34-59)128-129(121,122)123)99-84(116)70(51-78(108)109)95-76(105)56-127-46-44-125-42-40-90-75(104)55-126-45-43-124-41-39-89-72(101)38-37-65(87(119)120)93-73(102)31-22-17-15-13-11-9-7-8-10-12-14-16-18-23-32-77(106)107/h19-21,24-28,30,33-36,53,57,64-71,91H,5-18,22-23,29,31-32,37-52,54-56H2,1-4H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,115)(H,97,117)(H,98,114)(H,99,116)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50154437
PNG
(CHEMBL414345 | Cholecystokinin-9)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)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/C55H74N14O17S3/c1-87-21-18-37(64-51(79)40(24-31-14-16-33(17-15-31)86-89(83,84)85)68-54(82)42(26-45(71)72)67-48(76)35(56)12-8-20-60-55(58)59)49(77)62-29-44(70)63-41(25-32-28-61-36-13-7-6-11-34(32)36)52(80)65-38(19-22-88-2)50(78)69-43(27-46(73)74)53(81)66-39(47(57)75)23-30-9-4-3-5-10-30/h3-7,9-11,13-17,28,35,37-43,61H,8,12,18-27,29,56H2,1-2H3,(H2,57,75)(H,62,77)(H,63,70)(H,64,79)(H,65,80)(H,66,81)(H,67,76)(H,68,82)(H,69,78)(H,71,72)(H,73,74)(H4,58,59,60)(H,83,84,85)/t35-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor

J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


Article DOI: 10.1021/jm9603072
BindingDB Entry DOI: 10.7270/Q2PG1SDX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)		BDBM50549226
PNG
(CHEMBL4795913)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(O)=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](Cc1cccc2ccccc12)C(N)=O |r|
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TBA

Assay Description
Agonist activity at rat CCK2R expressed in rat AR42J cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye based...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01233
BindingDB Entry DOI: 10.7270/Q2P84GJ2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517357
PNG
(CHEMBL4568746)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C91H131N13O28S/c1-4-6-32-68(85(117)96-57-78(107)98-73(53-63-56-95-67-34-25-24-31-66(63)67)87(119)101-69(33-7-5-2)90(122)104(3)75(55-83(114)115)89(121)102-71(84(92)116)52-62-29-26-28-61-27-22-23-30-65(61)62)100-86(118)72(51-60-37-39-64(40-38-60)132-133(125,126)127)103-88(120)74(54-82(112)113)99-80(109)59-131-50-48-129-46-44-94-79(108)58-130-49-47-128-45-43-93-76(105)42-41-70(91(123)124)97-77(106)35-20-18-16-14-12-10-8-9-11-13-15-17-19-21-36-81(110)111/h22-31,34,37-40,56,68-75,95H,4-21,32-33,35-36,41-55,57-59H2,1-3H3,(H2,92,116)(H,93,105)(H,94,108)(H,96,117)(H,97,106)(H,98,107)(H,99,109)(H,100,118)(H,101,119)(H,102,121)(H,103,120)(H,110,111)(H,112,113)(H,114,115)(H,123,124)(H,125,126,127)/t68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)		BDBM50549227
PNG
(CHEMBL4759105)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(O)=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](Cc1cccc2ccccc12)C(N)=O |r|
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n/an/an/an/a 1.90n/an/an/an/a


TBA

Assay Description
Agonist activity at rat CCK2R expressed in rat AR42J cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye based...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01233
BindingDB Entry DOI: 10.7270/Q2P84GJ2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50600026
PNG
(CHEMBL5177923)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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n/an/an/an/a 2.40n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114214
BindingDB Entry DOI: 10.7270/Q2GM8CCP
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 2.66n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...

J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50517342
PNG
(CHEMBL4591101)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C87H129N13O28S/c1-4-6-30-64(81(113)92-55-74(103)94-68(51-60-54-91-63-32-26-25-29-62(60)63)84(116)97-65(31-7-5-2)82(114)99-70(53-79(110)111)86(118)100(3)71(80(88)112)50-58-27-21-20-22-28-58)96-83(115)67(49-59-35-37-61(38-36-59)128-129(121,122)123)98-85(117)69(52-78(108)109)95-76(105)57-127-48-46-125-44-42-90-75(104)56-126-47-45-124-43-41-89-72(101)40-39-66(87(119)120)93-73(102)33-23-18-16-14-12-10-8-9-11-13-15-17-19-24-34-77(106)107/h20-22,25-29,32,35-38,54,64-71,91H,4-19,23-24,30-31,33-34,39-53,55-57H2,1-3H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,115)(H,97,116)(H,98,117)(H,99,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70+,71-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay

J Med Chem 62: 1407-1419 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM21140
PNG
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C51H61N9O10/c1-3-4-19-43(50(69)59-41(28-45(63)64)49(68)57-39(46(53)65)25-31-13-7-5-8-14-31)60(2)51(70)42(27-34-29-54-38-18-12-11-17-36(34)38)56-44(62)30-55-48(67)40(26-32-15-9-6-10-16-32)58-47(66)37(52)24-33-20-22-35(61)23-21-33/h5-18,20-23,29,37,39-43,54,61H,3-4,19,24-28,30,52H2,1-2H3,(H2,53,65)(H,55,67)(H,56,62)(H,57,68)(H,58,66)(H,59,69)(H,63,64)/t37-,39-,40+,41-,42+,43-/m0/s1
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 1.10n/an/an/a 2.80n/an/an/an/a



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...

J Med Chem 49: 2868-75 (2006)


Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50024321
PNG
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=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/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a


TBA

Assay Description
Agonist activity at human CCK2R expressed in human A431 cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye ba...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01233
BindingDB Entry DOI: 10.7270/Q2P84GJ2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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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n/an/an/an/a 3.40n/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)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(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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n/an/an/an/a 4n/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)


Article DOI: 10.1021/jm9603072
BindingDB Entry DOI: 10.7270/Q2PG1SDX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM21132
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H57N9O10/c1-4-5-15-37(44(63)53-35(23-39(57)58)43(62)52-34(40(47)59)21-27-11-7-6-8-12-27)54(3)45(64)36(22-29-24-48-33-14-10-9-13-31(29)33)51-38(56)25-49-41(60)26(2)50-42(61)32(46)20-28-16-18-30(55)19-17-28/h6-14,16-19,24,26,32,34-37,48,55H,4-5,15,20-23,25,46H2,1-3H3,(H2,47,59)(H,49,60)(H,50,61)(H,51,56)(H,52,62)(H,53,63)(H,57,58)/t26-,32+,34+,35+,36+,37+/m1/s1
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 1.60n/an/an/a 4.60n/an/an/an/a



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...

J Med Chem 49: 2868-75 (2006)


Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99
More data for this
Ligand-Target Pair
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