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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'croker' and Initial = 'de'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613517
PNG
(CHEMBL5273346)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.0700n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613518
PNG
(CHEMBL5289754)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.130n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613552
PNG
(CHEMBL5281808)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)NCC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.160n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613546
PNG
(CHEMBL5273114)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.230n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613519
PNG
(CHEMBL5281912)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.25n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613478
PNG
(CHEMBL5273273)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
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0.280n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613548
PNG
(CHEMBL5286081)
Show SMILES C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.290n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50002184
PNG
(CHEMBL415330 | H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C75H127N25O14/c1-7-45(6)61(71(113)96-54(25-17-35-88-75(84)85)72(114)100-36-18-26-58(100)70(112)95-51(22-12-14-32-77)65(107)97-55(37-43(2)3)67(109)92-50(62(79)104)21-11-13-31-76)99-66(108)53(24-16-34-87-74(82)83)93-64(106)52(23-15-33-86-73(80)81)94-68(110)56(38-44(4)5)98-69(111)57(40-46-19-9-8-10-20-46)91-60(103)42-89-59(102)41-90-63(105)49(78)39-47-27-29-48(101)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,101H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H2,79,104)(H,89,102)(H,90,105)(H,91,103)(H,92,109)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,107)(H,98,111)(H,99,108)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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Similars

0.400n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613550
PNG
(CHEMBL5279208)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.420n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613528
PNG
(CHEMBL5282326)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.480n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613547
PNG
(CHEMBL5278935)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.590n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613520
PNG
(CHEMBL5283811)
Show SMILES COc1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.590n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613551
PNG
(CHEMBL5283035)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.590n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613545
PNG
(CHEMBL5288658)
Show SMILES NC(=O)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.610n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613513
PNG
(CHEMBL5280997)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1cc2ccccc2cc1N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.640n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613514
PNG
(CHEMBL5284775)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1cnc2ccccc2c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.710n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613515
PNG
(CHEMBL5276702)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.910n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613521
PNG
(CHEMBL5285730)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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0.980n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613522
PNG
(CHEMBL5270523)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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1.20n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613511
PNG
(CHEMBL5278992)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)Cc1cccc(Br)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613510
PNG
(CHEMBL5282859)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613516
PNG
(CHEMBL5275165)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H]1NCCc2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613494
PNG
(CHEMBL5280066)
Show SMILES N[C@@H](CC(N)=O)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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1.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613524
PNG
(CHEMBL5289642)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O |r|
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1.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613549
PNG
(CHEMBL5283084)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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1.40n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613512
PNG
(CHEMBL5276129)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)Cc1cccc(Cl)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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2.10n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613523
PNG
(CHEMBL5279518)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613532
PNG
(CHEMBL5288155)
Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@H]-1-[#6][Se;v2][Se;v2][#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](-[#7])=O |r|
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613496
PNG
(CHEMBL5266718)
Show SMILES N[C@@H](CC(N)=O)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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2.90n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613506
PNG
(CHEMBL5268886)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613508
PNG
(CHEMBL5288478)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1cccc(Br)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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5.30n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613507
PNG
(CHEMBL5280357)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613509
PNG
(CHEMBL5271178)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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6.70n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613503
PNG
(CHEMBL5267287)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613533
PNG
(CHEMBL5276505)
Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@H]-1-[#6][Se;v2][#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](-[#7])=O |r|
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7.80n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613553
PNG
(CHEMBL5276565)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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10n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613504
PNG
(CHEMBL5274492)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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13n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613526
PNG
(CHEMBL5288247)
Show SMILES CN([C@H]1CSSC[C@H](NC1=O)C(N)=O)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 |r|
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15n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613535
PNG
(CHEMBL5279099)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSCSC[C@H](NC1=O)C(N)=O |r|
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16n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613505
PNG
(CHEMBL5268235)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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16n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613554
PNG
(CHEMBL5267374)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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19n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613493
PNG
(CHEMBL5284138)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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24n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613495
PNG
(CHEMBL5277937)
Show SMILES N[C@@H](CC(N)=O)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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28n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613487
PNG
(CHEMBL5271835)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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40n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613555
PNG
(CHEMBL5276375)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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60n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613486
PNG
(CHEMBL5281790)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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68n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613481
PNG
(CHEMBL5282726)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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80n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613498
PNG
(CHEMBL5269763)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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85n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613484
PNG
(CHEMBL5272472)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N1)C(=O)N[C@H]1CSSC[C@H](NC1=O)C(N)=O |r|
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133n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50613527
PNG
(CHEMBL5265822)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@H](CN[C@H]1CSSC[C@H](NC1=O)C(N)=O)CC1CCCCC1 |r|
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135n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
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