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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with Target = 'CCKBR' AND taxid = 9606   
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


(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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1.32n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85153
PNG
(CCK-A Agonist 20)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H36N4O4/c1-25(2)40(28-18-20-29(45-4)21-19-28)34(42)24-39-32-16-10-11-17-33(32)41(27-12-6-5-7-13-27)36(44)37(3,35(39)43)22-26-23-38-31-15-9-8-14-30(26)31/h5-21,23,25,38H,22,24H2,1-4H3
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8.32n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85145
PNG
(CCK-A Agonist 15)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C36H34N4O4/c1-24(2)39(27-17-19-28(44-3)20-18-27)34(41)23-38-32-15-9-10-16-33(32)40(26-11-5-4-6-12-26)36(43)30(35(38)42)21-25-22-37-31-14-8-7-13-29(25)31/h4-20,22,24,30,37H,21,23H2,1-3H3
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11.0n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85152
PNG
(CCK-A Agonist 23)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C36H35N5O4/c1-24(2)40(26-18-20-27(45-4)21-19-26)33(42)23-39-31-16-10-11-17-32(31)41(25-12-6-5-7-13-25)35(44)36(3,34(39)43)22-30-28-14-8-9-15-29(28)37-38-30/h5-21,24H,22-23H2,1-4H3,(H,37,38)
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13.2n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85148
PNG
(CCK-A Agonist 21)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2c[nH]c3ccccc23)(OC)C1=O
Show InChI InChI=1S/C37H36N4O5/c1-25(2)40(28-18-20-29(45-3)21-19-28)34(42)24-39-32-16-10-11-17-33(32)41(27-12-6-5-7-13-27)36(44)37(46-4,35(39)43)22-26-23-38-31-15-9-8-14-30(26)31/h5-21,23,25,38H,22,24H2,1-4H3
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13.8n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85141
PNG
(CCK-A Agonist 24)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)(OC)C1=O
Show InChI InChI=1S/C36H35N5O5/c1-24(2)40(26-18-20-27(45-3)21-19-26)33(42)23-39-31-16-10-11-17-32(31)41(25-12-6-5-7-13-25)35(44)36(46-4,34(39)43)22-30-28-14-8-9-15-29(28)37-38-30/h5-21,24H,22-23H2,1-4H3,(H,37,38)
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14.4n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85161
PNG
(CCK-A Agonist 43)
Show SMILES COc1ccc(cc1)N(C1CCCC1)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C37H35N5O4/c1-46-28-21-19-27(20-22-28)41(25-13-5-6-14-25)35(43)24-40-33-17-9-10-18-34(33)42(26-11-3-2-4-12-26)37(45)30(36(40)44)23-32-29-15-7-8-16-31(29)38-39-32/h2-4,7-12,15-22,25,30H,5-6,13-14,23-24H2,1H3,(H,38,39)
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17.0n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85155
PNG
(CCK-A Agonist 31)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3cccc(F)c23)C1=O
Show InChI InChI=1S/C35H32FN5O4/c1-22(2)40(24-16-18-25(45-3)19-17-24)32(42)21-39-30-14-7-8-15-31(30)41(23-10-5-4-6-11-23)35(44)26(34(39)43)20-29-33-27(36)12-9-13-28(33)37-38-29/h4-19,22,26H,20-21H2,1-3H3,(H,37,38)
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17.4n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85147
PNG
(CCK-A Agonist 22)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2cn(C)c3ccccc23)C1=O
Show InChI InChI=1S/C38H38N4O4/c1-26(2)41(29-19-21-30(46-5)22-20-29)35(43)25-40-33-17-11-12-18-34(33)42(28-13-7-6-8-14-28)37(45)38(3,36(40)44)23-27-24-39(4)32-16-10-9-15-31(27)32/h6-22,24,26H,23,25H2,1-5H3
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17.8n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85143
PNG
(CCK-A Agonist 34)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3c(F)cccc23)C1=O
Show InChI InChI=1S/C35H32FN5O4/c1-22(2)40(24-16-18-25(45-3)19-17-24)32(42)21-39-30-14-7-8-15-31(30)41(23-10-5-4-6-11-23)35(44)27(34(39)43)20-29-26-12-9-13-28(36)33(26)38-37-29/h4-19,22,27H,20-21H2,1-3H3,(H,37,38)
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20.9n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85149
PNG
(CCK-A Agonist 33)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O
Show InChI InChI=1S/C35H32FN5O4/c1-22(2)40(25-14-16-26(45-3)17-15-25)33(42)21-39-31-11-7-8-12-32(31)41(24-9-5-4-6-10-24)35(44)28(34(39)43)20-30-27-18-13-23(36)19-29(27)37-38-30/h4-19,22,28H,20-21H2,1-3H3,(H,37,38)
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29.5n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85160
PNG
(CCK-A Agonist 27)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(Cc2nn(C)c3ccccc23)C1=O
Show InChI InChI=1S/C37H37N5O4/c1-25(2)41(27-19-21-28(46-5)22-20-27)34(43)24-40-32-17-11-12-18-33(32)42(26-13-7-6-8-14-26)36(45)37(3,35(40)44)23-30-29-15-9-10-16-31(29)39(4)38-30/h6-22,25H,23-24H2,1-5H3
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38.9n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85150
PNG
(CCK-A Agonist 25)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2nn(C)c3ccccc23)C1=O
Show InChI InChI=1S/C36H35N5O4/c1-24(2)40(26-18-20-27(45-4)21-19-26)34(42)23-39-32-16-10-11-17-33(32)41(25-12-6-5-7-13-25)36(44)29(35(39)43)22-30-28-14-8-9-15-31(28)38(3)37-30/h5-21,24,29H,22-23H2,1-4H3
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42.7n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85140
PNG
(CCK-A Agonist 32)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccc(F)cc23)C1=O
Show InChI InChI=1S/C35H32FN5O4/c1-22(2)40(25-14-16-26(45-3)17-15-25)33(42)21-39-31-11-7-8-12-32(31)41(24-9-5-4-6-10-24)35(44)28(34(39)43)20-30-27-19-23(36)13-18-29(27)37-38-30/h4-19,22,28H,20-21H2,1-3H3,(H,37,38)
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42.7n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85139
PNG
(CCK-A Agonist 37)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1
Show InChI InChI=1S/C34H31N5O3/c1-23(2)38(24-13-5-3-6-14-24)32(40)22-37-30-19-11-12-20-31(30)39(25-15-7-4-8-16-25)34(42)27(33(37)41)21-29-26-17-9-10-18-28(26)35-36-29/h3-20,23,27H,21-22H2,1-2H3,(H,35,36)
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87.1n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85151
PNG
(CCK-A Agonist 18)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2noc3ccccc23)C1=O
Show InChI InChI=1S/C35H32N4O5/c1-23(2)38(25-17-19-26(43-3)20-18-25)33(40)22-37-30-14-8-9-15-31(30)39(24-11-5-4-6-12-24)35(42)28(34(37)41)21-29-27-13-7-10-16-32(27)44-36-29/h4-20,23,28H,21-22H2,1-3H3
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89.1n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85144
PNG
(CCK-A Agonist 28)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ncccc23)C1=O
Show InChI InChI=1S/C34H32N6O4/c1-22(2)39(24-15-17-25(44-3)18-16-24)31(41)21-38-29-13-7-8-14-30(29)40(23-10-5-4-6-11-23)34(43)27(33(38)42)20-28-26-12-9-19-35-32(26)37-36-28/h4-19,22,27H,20-21H2,1-3H3,(H,35,36,37)
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112n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85146
PNG
(CCK-A Agonist 30)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2[nH]nc3CCCCc23)C1=O
Show InChI InChI=1S/C35H37N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-6,9-12,15-20,23,28H,7-8,13-14,21-22H2,1-3H3,(H,36,37)
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129n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85138
PNG
(CCK-A Agonist 38)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C34H30FN5O3/c1-22(2)39(25-18-16-23(35)17-19-25)32(41)21-38-30-14-8-9-15-31(30)40(24-10-4-3-5-11-24)34(43)27(33(38)42)20-29-26-12-6-7-13-28(26)36-37-29/h3-19,22,27H,20-21H2,1-2H3,(H,36,37)
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138n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85158
PNG
(CCK-A Agonist 26)
Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2nn(Cc3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C42H39N5O4/c1-29(2)46(32-22-24-33(51-3)25-23-32)40(48)28-44-38-20-12-13-21-39(38)47(31-16-8-5-9-17-31)42(50)35(41(44)49)26-36-34-18-10-11-19-37(34)45(43-36)27-30-14-6-4-7-15-30/h4-25,29,35H,26-28H2,1-3H3
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309n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85142
PNG
(CCK-A Agonist 42)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C35H31N5O5/c1-22(2)39(24-16-17-31-32(18-24)45-21-44-31)33(41)20-38-29-14-8-9-15-30(29)40(23-10-4-3-5-11-23)35(43)26(34(38)42)19-28-25-12-6-7-13-27(25)36-37-28/h3-18,22,26H,19-21H2,1-2H3,(H,36,37)
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355n/an/an/an/an/an/an/an/a



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


(HUMAN)
BDBM85157
PNG
(CCK-A Agonist 40)
Show SMILES COc1cccc(c1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H33N5O4/c1-23(2)39(25-14-11-15-26(20-25)44-3)33(41)22-38-31-18-9-10-19-32(31)40(24-12-5-4-6-13-24)35(43)28(34(38)42)21-30-27-16-7-8-17-29(27)36-37-30/h4-20,23,28H,21-22H2,1-3H3,(H,36,37)
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479n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




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Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85162
PNG
(CCK-A Agonist 44)
Show SMILES O=C(CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)N(C1CC1)c1ccccc1
Show InChI InChI=1S/C34H29N5O3/c40-32(38(25-19-20-25)23-11-3-1-4-12-23)22-37-30-17-9-10-18-31(30)39(24-13-5-2-6-14-24)34(42)27(33(37)41)21-29-26-15-7-8-16-28(26)35-36-29/h1-18,25,27H,19-22H2,(H,35,36)
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525n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85159
PNG
(CCK-A Agonist 39)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C35H30F3N5O3/c1-22(2)42(25-18-16-23(17-19-25)35(36,37)38)32(44)21-41-30-14-8-9-15-31(30)43(24-10-4-3-5-11-24)34(46)27(33(41)45)20-29-26-12-6-7-13-28(26)39-40-29/h3-19,22,27H,20-21H2,1-2H3,(H,39,40)
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661n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85137
PNG
(CCK-A Agonist 45)
Show SMILES CC(C)(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1
Show InChI InChI=1S/C35H33N5O3/c1-35(2,3)40(25-16-8-5-9-17-25)32(41)23-38-30-20-12-13-21-31(30)39(24-14-6-4-7-15-24)34(43)27(33(38)42)22-29-26-18-10-11-19-28(26)36-37-29/h4-21,27H,22-23H2,1-3H3,(H,36,37)
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891n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




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Ligand-Target Pair
CCKBR


(HUMAN)
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM85156
PNG
(CCK-A Agonist 41)
Show SMILES COc1ccccc1N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C35H33N5O4/c1-23(2)39(31-19-11-12-20-32(31)44-3)33(41)22-38-29-17-9-10-18-30(29)40(24-13-5-4-6-14-24)35(43)26(34(38)42)21-28-25-15-7-8-16-27(25)36-37-28/h4-20,23,26H,21-22H2,1-3H3,(H,36,37)
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1.58E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
CCKBR


(HUMAN)
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Pharma

Curated by PDSP Ki Database




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Ligand-Target Pair