Found 27 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216076
((2S)-2-{2-[(2S)-2-[(4-{[bis(pyridin-2-ylmethyl)ami...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,59.62,wD:48.51,(7.91,-1.59,;7.91,-3.13,;9.24,-3.91,;6.58,-3.91,;6.58,-5.45,;5.24,-6.21,;3.91,-5.44,;3.91,-3.89,;2.57,-6.21,;1.23,-5.44,;-.1,-6.22,;-.1,-7.76,;-1.43,-5.45,;-1.43,-3.91,;-.1,-3.13,;1.23,-3.9,;2.57,-3.13,;2.57,-1.59,;1.23,-.82,;-.11,-1.59,;-2.77,-6.21,;-4.1,-5.44,;-5.43,-6.21,;-4.1,-3.9,;-2.77,-3.13,;-2.77,-1.6,;-4.1,-.83,;-4.1,.71,;-2.77,1.48,;-2.77,3.02,;-4.1,3.79,;-4.1,5.32,;-5.43,6.09,;-6.76,5.32,;-6.76,3.78,;-5.43,3.01,;-1.44,.71,;-.11,1.48,;-.11,3.01,;1.21,3.78,;2.55,3.01,;2.55,1.48,;1.22,.71,;-5.44,-1.6,;-5.43,-3.13,;7.91,-6.22,;7.91,-7.76,;9.24,-5.44,;10.58,-6.2,;10.58,-7.74,;11.92,-8.51,;11.92,-10.05,;13.25,-10.83,;13.25,-12.37,;11.92,-13.14,;14.59,-13.14,;11.92,-5.42,;11.92,-3.88,;13.24,-6.2,;14.58,-5.43,;14.58,-3.88,;15.91,-3.12,;17.31,-3.74,;18.34,-2.59,;17.58,-1.26,;18.06,.21,;17.02,1.35,;15.51,1.04,;15.03,-.43,;16.07,-1.58,;15.91,-6.2,;17.24,-5.43,;15.91,-7.74,)| Show InChI InChI=1S/C54H65N13O6/c1-35(2)27-46(53(73)64-44(19-12-26-60-54(56)57)52(72)65-45(49(55)69)29-39-30-61-43-18-7-6-17-42(39)43)63-48(68)31-62-51(71)47(28-36-13-4-3-5-14-36)66-50(70)38-22-20-37(21-23-38)32-67(33-40-15-8-10-24-58-40)34-41-16-9-11-25-59-41/h3-11,13-18,20-25,30,35,44-47,61H,12,19,26-29,31-34H2,1-2H3,(H2,55,69)(H,62,71)(H,63,68)(H,64,73)(H,65,72)(H,66,70)(H4,56,57,60)/t44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216081
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CNCc2ccccn2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,52.54,wD:41.43,(6.89,.87,;6.89,-.67,;8.21,-1.44,;5.55,-1.44,;5.55,-2.98,;4.21,-3.75,;2.88,-2.98,;2.88,-1.43,;1.55,-3.75,;.21,-2.98,;-1.13,-3.75,;-1.13,-5.3,;-2.46,-2.98,;-2.46,-1.44,;-1.13,-.67,;.2,-1.44,;1.54,-.67,;1.54,.88,;.2,1.64,;-1.14,.87,;-3.79,-3.75,;-5.12,-2.98,;-6.46,-3.74,;-5.12,-1.44,;-3.79,-.67,;-3.79,.86,;-5.12,1.63,;-5.12,3.17,;-3.79,3.94,;-2.46,3.17,;-1.13,3.94,;-1.14,5.46,;.18,6.23,;1.52,5.47,;1.52,3.93,;.19,3.16,;-6.46,.86,;-6.45,-.68,;6.89,-3.75,;6.89,-5.29,;8.22,-2.97,;9.55,-3.74,;9.55,-5.28,;10.89,-6.05,;10.89,-7.59,;12.22,-8.36,;12.23,-9.9,;10.9,-10.67,;13.56,-10.67,;10.89,-2.96,;10.89,-1.42,;12.22,-3.74,;13.55,-2.97,;13.55,-1.42,;14.88,-.65,;16.29,-1.28,;17.32,-.13,;16.55,1.21,;17.03,2.68,;15.99,3.81,;14.48,3.5,;14,2.03,;15.04,.88,;14.88,-3.73,;16.21,-2.97,;14.88,-5.27,)| Show InChI InChI=1S/C48H60N12O6/c1-30(2)23-40(47(66)58-38(16-10-22-54-48(50)51)46(65)59-39(43(49)62)25-34-27-55-37-15-7-6-14-36(34)37)57-42(61)29-56-45(64)41(24-31-11-4-3-5-12-31)60-44(63)33-19-17-32(18-20-33)26-52-28-35-13-8-9-21-53-35/h3-9,11-15,17-21,27,30,38-41,52,55H,10,16,22-26,28-29H2,1-2H3,(H2,49,62)(H,56,64)(H,57,61)(H,58,66)(H,59,65)(H,60,63)(H4,50,51,54)/t38-,39-,40-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM26338
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:33.34,wD:12.20,4.4,44.45,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)| Show InChI InChI=1S/C41H51FN10O6/c1-24(2)19-33(49-35(53)23-48-38(56)34(20-25-9-4-3-5-10-25)52-37(55)26-14-16-28(42)17-15-26)40(58)50-31(13-8-18-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,47H,8,13,18-21,23H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.690 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216067
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,43.44,wD:32.33,(7.35,-10.51,;7.35,-12.05,;8.68,-12.82,;6.01,-12.82,;6.01,-14.36,;4.68,-15.13,;3.35,-14.36,;3.35,-12.81,;2.01,-15.13,;.67,-14.36,;-.66,-15.13,;-.66,-16.68,;-1.99,-14.36,;-1.99,-12.82,;-.66,-12.05,;.67,-12.82,;2,-12.05,;2,-10.51,;.67,-9.74,;-.67,-10.51,;-3.33,-15.14,;-4.66,-14.36,;-5.99,-15.13,;-4.66,-12.83,;-3.33,-12.07,;-3.32,-10.53,;-4.65,-9.76,;-5.99,-10.54,;-5.98,-12.07,;7.35,-15.13,;7.35,-16.67,;8.68,-14.35,;10.02,-15.12,;10.02,-16.66,;11.35,-17.43,;11.35,-18.97,;12.69,-19.74,;12.69,-21.28,;11.36,-22.05,;14.02,-22.05,;11.35,-14.34,;11.35,-12.8,;12.68,-15.12,;14.02,-14.35,;14.02,-12.8,;15.35,-12.04,;16.75,-12.66,;17.78,-11.51,;17.01,-10.18,;17.49,-8.71,;16.45,-7.57,;14.94,-7.89,;14.47,-9.36,;15.51,-10.5,;15.35,-15.12,;16.68,-14.35,;15.35,-16.65,)| Show InChI InChI=1S/C41H52N10O6/c1-25(2)20-33(48-35(52)24-47-38(55)34(21-26-12-5-3-6-13-26)51-37(54)27-14-7-4-8-15-27)40(57)49-31(18-11-19-45-41(43)44)39(56)50-32(36(42)53)22-28-23-46-30-17-10-9-16-29(28)30/h3-10,12-17,23,25,31-34,46H,11,18-22,24H2,1-2H3,(H2,42,53)(H,47,55)(H,48,52)(H,49,57)(H,50,56)(H,51,54)(H4,43,44,45)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.990 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216071
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(7.83,4.08,;7.83,2.54,;9.16,1.76,;6.49,1.76,;6.49,.22,;5.16,-.54,;3.82,.23,;3.82,1.77,;2.49,-.54,;1.15,.22,;-.18,-.55,;-.18,-2.09,;-1.51,.22,;-1.51,1.76,;-.19,2.54,;1.15,1.77,;2.48,2.54,;2.48,4.08,;1.15,4.85,;-.19,4.08,;-2.85,-.55,;-4.18,.22,;-5.51,-.54,;-4.18,1.75,;-2.85,2.52,;-2.84,4.05,;-4.17,4.82,;-5.51,4.05,;-6.84,4.81,;-5.5,2.52,;7.83,-.54,;7.83,-2.08,;9.16,.23,;10.5,-.53,;10.5,-2.07,;11.83,-2.84,;11.83,-4.38,;13.16,-5.16,;13.17,-6.7,;11.84,-7.46,;14.5,-7.47,;11.83,.24,;11.83,1.78,;13.16,-.53,;14.5,.24,;14.5,1.78,;15.83,2.55,;17.23,1.93,;18.26,3.07,;17.49,4.41,;17.97,5.88,;16.93,7.02,;15.42,6.7,;14.95,5.23,;15.99,4.09,;15.83,-.53,;17.15,.24,;15.83,-2.07,)| Show InChI InChI=1S/C41H52N10O7/c1-24(2)18-33(48-35(53)23-47-38(56)34(19-25-10-4-3-5-11-25)51-37(55)26-12-8-13-28(52)20-26)40(58)49-31(16-9-17-45-41(43)44)39(57)50-32(36(42)54)21-27-22-46-30-15-7-6-14-29(27)30/h3-8,10-15,20,22,24,31-34,46,52H,9,16-19,21,23H2,1-2H3,(H2,42,54)(H,47,56)(H,48,53)(H,49,58)(H,50,57)(H,51,55)(H4,43,44,45)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216072
(2-{[(1S)-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1OC(=O)c1ccccc1O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,53.55,wD:42.44,(10.59,-21.53,;10.59,-23.07,;11.92,-23.84,;9.25,-23.84,;9.25,-25.39,;7.91,-26.15,;6.58,-25.37,;6.58,-23.82,;5.24,-26.14,;3.9,-25.38,;2.57,-26.15,;2.57,-27.7,;1.24,-25.39,;1.24,-23.84,;2.57,-23.07,;3.9,-23.84,;5.24,-23.07,;5.24,-21.52,;3.9,-20.76,;2.56,-21.53,;-.1,-26.15,;-1.43,-25.38,;-2.76,-26.14,;-1.43,-23.84,;-.09,-23.08,;-.09,-21.54,;-1.42,-20.77,;-2.76,-21.55,;-2.75,-23.08,;-4.08,-23.85,;-5.42,-23.08,;-6.75,-23.86,;-5.42,-21.55,;-4.09,-20.78,;-4.09,-19.24,;-5.43,-18.48,;-6.76,-19.26,;-6.75,-20.79,;-8.08,-21.56,;10.59,-26.15,;10.59,-27.69,;11.91,-25.37,;13.25,-26.14,;13.25,-27.68,;14.59,-28.45,;14.59,-29.99,;15.92,-30.76,;15.93,-32.3,;14.6,-33.07,;17.26,-33.08,;14.59,-25.36,;14.59,-23.82,;15.92,-26.14,;17.25,-25.37,;17.25,-23.82,;18.58,-23.05,;19.99,-23.68,;21.02,-22.53,;20.25,-21.19,;20.73,-19.72,;19.69,-18.58,;18.18,-18.9,;17.7,-20.37,;18.74,-21.52,;18.58,-26.14,;19.91,-25.37,;18.58,-27.68,)| Show InChI InChI=1S/C48H56N10O9/c1-28(2)23-37(46(65)56-35(19-12-22-52-48(50)51)45(64)57-36(42(49)61)25-30-26-53-34-18-9-6-15-31(30)34)55-41(60)27-54-44(63)38(24-29-13-4-3-5-14-29)58-43(62)33-17-8-11-21-40(33)67-47(66)32-16-7-10-20-39(32)59/h3-11,13-18,20-21,26,28,35-38,53,59H,12,19,22-25,27H2,1-2H3,(H2,49,61)(H,54,63)(H,55,60)(H,56,65)(H,57,64)(H,58,62)(H4,50,51,52)/t35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216078
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(8.92,-39.59,;8.92,-41.13,;10.25,-41.91,;7.59,-41.91,;7.59,-43.45,;6.25,-44.21,;4.92,-43.44,;4.92,-41.89,;3.58,-44.21,;2.25,-43.45,;.91,-44.21,;.91,-45.76,;-.42,-43.45,;-.42,-41.91,;.91,-41.13,;2.24,-41.9,;3.58,-41.13,;3.57,-39.59,;2.24,-38.82,;.9,-39.59,;-1.75,-44.22,;-3.09,-43.44,;-4.42,-44.21,;-3.09,-41.91,;-1.75,-41.15,;-1.75,-39.62,;-3.08,-38.84,;-3.08,-37.31,;-4.42,-39.62,;-4.41,-41.15,;8.92,-44.21,;8.92,-45.75,;10.25,-43.44,;11.59,-44.2,;11.59,-45.74,;12.93,-46.51,;12.93,-48.05,;14.26,-48.82,;14.26,-50.36,;12.93,-51.13,;15.6,-51.14,;12.93,-43.43,;12.93,-41.88,;14.26,-44.2,;15.59,-43.43,;15.59,-41.89,;16.92,-41.12,;18.32,-41.74,;19.35,-40.6,;18.59,-39.26,;19.06,-37.79,;18.02,-36.65,;16.52,-36.97,;16.04,-38.44,;17.08,-39.58,;16.92,-44.2,;18.25,-43.43,;16.92,-45.74,)| Show InChI InChI=1S/C41H51ClN10O6/c1-24(2)19-33(49-35(53)23-48-38(56)34(20-25-9-4-3-5-10-25)52-37(55)26-14-16-28(42)17-15-26)40(58)50-31(13-8-18-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,47H,8,13,18-21,23H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216061
((2S)-2-{2-[(2S)-2-[(4-aminophenyl)formamido]-3-phe...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(9.73,-45.37,;9.73,-46.91,;11.06,-47.69,;8.39,-47.69,;8.39,-49.23,;7.06,-49.99,;5.73,-49.22,;5.73,-47.67,;4.39,-49.99,;3.05,-49.23,;1.72,-49.99,;1.72,-51.54,;.39,-49.23,;.39,-47.69,;1.72,-46.91,;3.05,-47.68,;4.39,-46.91,;4.38,-45.37,;3.05,-44.6,;1.71,-45.37,;-.95,-50,;-2.28,-49.22,;-3.61,-49.99,;-2.28,-47.69,;-.95,-46.92,;-.95,-45.39,;-2.28,-44.62,;-2.28,-43.08,;-3.61,-45.39,;-3.61,-46.92,;9.73,-49.99,;9.73,-51.53,;11.06,-49.22,;12.4,-49.98,;12.4,-51.52,;13.73,-52.29,;13.73,-53.83,;15.07,-54.6,;15.07,-56.14,;13.74,-56.91,;16.4,-56.92,;13.73,-49.21,;13.73,-47.67,;15.06,-49.98,;16.4,-49.21,;16.4,-47.67,;17.73,-46.9,;19.13,-47.52,;20.16,-46.38,;19.39,-45.04,;19.87,-43.57,;18.83,-42.43,;17.32,-42.75,;16.85,-44.22,;17.89,-45.36,;17.73,-49.98,;19.06,-49.21,;17.73,-51.52,)| Show InChI InChI=1S/C41H53N11O6/c1-24(2)19-33(49-35(53)23-48-38(56)34(20-25-9-4-3-5-10-25)52-37(55)26-14-16-28(42)17-15-26)40(58)50-31(13-8-18-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,47H,8,13,18-21,23,42H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216065
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)c(O)c(O)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,46.47,wD:35.36,(5.92,2.15,;5.92,.61,;7.24,-.16,;4.58,-.16,;4.58,-1.7,;3.24,-2.47,;1.91,-1.7,;1.91,-.15,;.58,-2.47,;-.76,-1.7,;-2.1,-2.47,;-2.1,-4.01,;-3.43,-1.7,;-3.43,-.16,;-2.1,.61,;-.77,-.16,;.57,.61,;.57,2.16,;-.77,2.92,;-2.11,2.15,;-4.76,-2.47,;-6.09,-1.7,;-7.42,-2.47,;-6.09,-.17,;-4.76,.6,;-4.76,2.13,;-3.43,2.9,;-6.09,2.9,;-6.09,4.44,;-7.42,2.13,;-8.75,2.89,;-7.42,.59,;5.92,-2.47,;5.92,-4,;7.25,-1.69,;8.58,-2.46,;8.58,-4,;9.92,-4.77,;9.92,-6.3,;11.25,-7.08,;11.25,-8.62,;9.93,-9.39,;12.59,-9.39,;9.92,-1.68,;9.92,-.14,;11.25,-2.46,;12.58,-1.69,;12.58,-.14,;13.91,.63,;15.31,.01,;16.34,1.15,;15.58,2.49,;16.05,3.95,;15.01,5.09,;13.51,4.78,;13.03,3.31,;14.07,2.16,;13.91,-2.45,;15.24,-1.68,;13.91,-3.99,)| Show InChI InChI=1S/C41H52N10O9/c1-22(2)15-30(48-34(54)21-47-38(58)31(16-23-9-4-3-5-10-23)51-37(57)24-18-32(52)35(55)33(53)19-24)40(60)49-28(13-8-14-45-41(43)44)39(59)50-29(36(42)56)17-25-20-46-27-12-7-6-11-26(25)27/h3-7,9-12,18-20,22,28-31,46,52-53,55H,8,13-17,21H2,1-2H3,(H2,42,56)(H,47,58)(H,48,54)(H,49,60)(H,50,59)(H,51,57)(H4,43,44,45)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216077
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)N=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,47.48,wD:36.37,(8.33,-31.6,;8.33,-33.14,;9.65,-33.91,;6.99,-33.91,;6.99,-35.45,;5.66,-36.22,;4.32,-35.45,;4.32,-33.9,;2.99,-36.22,;1.65,-35.46,;.31,-36.22,;.31,-37.77,;-1.02,-35.46,;-1.02,-33.92,;.31,-33.14,;1.64,-33.91,;2.98,-33.14,;2.98,-31.6,;1.64,-30.83,;.31,-31.6,;-2.35,-36.23,;-3.68,-35.45,;-5.01,-36.22,;-3.68,-33.92,;-2.35,-33.15,;-2.35,-31.62,;-3.68,-30.85,;-5.02,-31.62,;-5.01,-33.15,;-3.68,-29.31,;-2.35,-28.54,;-2.35,-27.01,;-1.02,-29.31,;8.33,-36.22,;8.33,-37.76,;9.66,-35.45,;10.99,-36.21,;10.99,-37.75,;12.33,-38.52,;12.33,-40.06,;13.66,-40.83,;13.67,-42.37,;12.34,-43.14,;15,-43.14,;12.33,-35.43,;12.33,-33.89,;13.66,-36.21,;14.99,-35.44,;14.99,-33.89,;16.32,-33.13,;17.72,-33.75,;18.76,-32.6,;17.99,-31.27,;18.46,-29.8,;17.43,-28.66,;15.92,-28.98,;15.44,-30.45,;16.48,-31.59,;16.32,-36.21,;17.65,-35.44,;16.32,-37.74,)| Show InChI InChI=1S/C42H55N13O6/c1-24(2)19-33(40(61)53-31(13-8-18-48-41(44)45)39(60)54-32(36(43)57)21-27-22-49-30-12-7-6-11-29(27)30)52-35(56)23-50-38(59)34(20-25-9-4-3-5-10-25)55-37(58)26-14-16-28(17-15-26)51-42(46)47/h3-7,9-12,14-17,22,24,31-34,49H,8,13,18-21,23H2,1-2H3,(H2,43,57)(H,50,59)(H,52,56)(H,53,61)(H,54,60)(H,55,58)(H4,44,45,48)(H4,46,47,51)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216068
((2S)-2-{2-[(2S)-2-{[4-(aminomethyl)phenyl]formamid...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CN)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,45.46,wD:34.35,(10.43,-29.78,;10.43,-31.32,;11.76,-32.1,;9.09,-32.1,;9.09,-33.64,;7.76,-34.4,;6.42,-33.63,;6.42,-32.08,;5.09,-34.4,;3.75,-33.64,;2.42,-34.4,;2.42,-35.95,;1.08,-33.64,;1.08,-32.1,;2.41,-31.32,;3.74,-32.09,;5.08,-31.32,;5.08,-29.78,;3.75,-29.01,;2.41,-29.78,;-.25,-34.41,;-1.58,-33.63,;-2.91,-34.4,;-1.58,-32.1,;-.25,-31.33,;-.25,-29.8,;-1.58,-29.03,;-1.58,-27.49,;-.25,-26.72,;-2.91,-29.8,;-2.91,-31.33,;10.43,-34.4,;10.43,-35.94,;11.76,-33.63,;13.09,-34.39,;13.09,-35.93,;14.43,-36.7,;14.43,-38.24,;15.76,-39.01,;15.77,-40.55,;14.44,-41.32,;17.1,-41.33,;14.43,-33.61,;14.43,-32.07,;15.76,-34.39,;17.09,-33.62,;17.09,-32.07,;18.42,-31.31,;19.83,-31.93,;20.86,-30.78,;20.09,-29.45,;20.57,-27.98,;19.53,-26.84,;18.02,-27.16,;17.54,-28.63,;18.58,-29.77,;18.42,-34.39,;19.75,-33.62,;18.42,-35.92,)| Show InChI InChI=1S/C42H55N11O6/c1-25(2)19-34(50-36(54)24-49-39(57)35(20-26-9-4-3-5-10-26)53-38(56)28-16-14-27(22-43)15-17-28)41(59)51-32(13-8-18-47-42(45)46)40(58)52-33(37(44)55)21-29-23-48-31-12-7-6-11-30(29)31/h3-7,9-12,14-17,23,25,32-35,48H,8,13,18-22,24,43H2,1-2H3,(H2,44,55)(H,49,57)(H,50,54)(H,51,59)(H,52,58)(H,53,56)(H4,45,46,47)/t32-,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216062
((2S)-2-{2-[(2S)-2-({4-[(benzylamino)methyl]phenyl}...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CNCc2ccccc2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,52.54,wD:41.43,(7.5,-15.93,;7.5,-17.47,;8.83,-18.25,;6.16,-18.25,;6.16,-19.79,;4.82,-20.55,;3.49,-19.78,;3.49,-18.23,;2.15,-20.55,;.81,-19.78,;-.52,-20.56,;-.52,-22.1,;-1.85,-19.79,;-1.85,-18.25,;-.52,-17.47,;.81,-18.24,;2.15,-17.47,;2.15,-15.92,;.81,-15.16,;-.53,-15.93,;-3.19,-20.55,;-4.52,-19.78,;-5.85,-20.54,;-4.52,-18.24,;-3.19,-17.47,;-3.18,-15.94,;-4.52,-15.17,;-4.52,-13.63,;-3.19,-12.86,;-1.85,-13.63,;-.52,-12.86,;.8,-13.63,;2.13,-12.86,;2.13,-11.33,;.79,-10.56,;-.53,-11.33,;-5.85,-15.94,;-5.85,-17.47,;7.5,-20.55,;7.5,-22.09,;8.82,-19.77,;10.16,-20.54,;10.16,-22.08,;11.5,-22.85,;11.5,-24.39,;12.83,-25.17,;12.84,-26.71,;11.51,-27.47,;14.17,-27.48,;11.5,-19.76,;11.5,-18.22,;12.83,-20.54,;14.16,-19.77,;14.16,-18.22,;15.49,-17.46,;16.9,-18.08,;17.93,-16.93,;17.16,-15.59,;17.64,-14.12,;16.6,-12.99,;15.09,-13.3,;14.61,-14.77,;15.65,-15.92,;15.49,-20.54,;16.82,-19.77,;15.49,-22.08,)| Show InChI InChI=1S/C49H61N11O6/c1-31(2)24-41(48(66)58-39(18-11-23-54-49(51)52)47(65)59-40(44(50)62)26-36-29-55-38-17-10-9-16-37(36)38)57-43(61)30-56-46(64)42(25-32-12-5-3-6-13-32)60-45(63)35-21-19-34(20-22-35)28-53-27-33-14-7-4-8-15-33/h3-10,12-17,19-22,29,31,39-42,53,55H,11,18,23-28,30H2,1-2H3,(H2,50,62)(H,56,64)(H,57,61)(H,58,66)(H,59,65)(H,60,63)(H4,51,52,54)/t39-,40-,41-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216070
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(8.68,-8.82,;8.68,-10.36,;10.01,-11.13,;7.35,-11.13,;7.35,-12.67,;6.01,-13.44,;4.68,-12.67,;4.68,-11.12,;3.34,-13.44,;2.01,-12.67,;.67,-13.44,;.67,-14.99,;-.66,-12.67,;-.66,-11.13,;.67,-10.36,;2,-11.13,;3.34,-10.36,;3.34,-8.82,;2,-8.05,;.66,-8.82,;-1.99,-13.45,;-3.32,-12.67,;-4.65,-13.44,;-3.32,-11.14,;-1.99,-10.38,;-1.99,-8.84,;-3.32,-8.07,;-4.65,-8.85,;-4.65,-10.38,;-5.98,-11.15,;8.68,-13.44,;8.68,-14.98,;10.01,-12.66,;11.35,-13.43,;11.35,-14.97,;12.69,-15.74,;12.69,-17.28,;14.02,-18.05,;14.02,-19.59,;12.69,-20.36,;15.36,-20.36,;12.69,-12.65,;12.69,-11.11,;14.02,-13.43,;15.35,-12.66,;15.35,-11.11,;16.68,-10.35,;18.08,-10.97,;19.11,-9.82,;18.35,-8.49,;18.82,-7.02,;17.78,-5.88,;16.28,-6.2,;15.8,-7.67,;16.84,-8.81,;16.68,-13.43,;18.01,-12.66,;16.68,-14.96,)| Show InChI InChI=1S/C41H52N10O7/c1-24(2)19-32(48-35(53)23-47-38(56)33(20-25-11-4-3-5-12-25)51-37(55)28-14-7-9-17-34(28)52)40(58)49-30(16-10-18-45-41(43)44)39(57)50-31(36(42)54)21-26-22-46-29-15-8-6-13-27(26)29/h3-9,11-15,17,22,24,30-33,46,52H,10,16,18-21,23H2,1-2H3,(H2,42,54)(H,47,56)(H,48,53)(H,49,58)(H,50,57)(H,51,55)(H4,43,44,45)/t30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216069
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CN=C(N)N)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,48.49,wD:37.38,(9.09,-16.29,;9.09,-17.84,;10.42,-18.61,;7.76,-18.61,;7.76,-20.15,;6.42,-20.92,;5.09,-20.14,;5.09,-18.6,;3.75,-20.91,;2.42,-20.15,;1.08,-20.92,;1.08,-22.46,;-.25,-20.15,;-.25,-18.61,;1.08,-17.84,;2.41,-18.6,;3.75,-17.83,;3.75,-16.29,;2.41,-15.53,;1.07,-16.3,;-1.58,-20.92,;-2.91,-20.15,;-4.24,-20.91,;-2.91,-18.61,;-1.58,-17.84,;-1.58,-16.31,;-2.91,-15.54,;-2.91,-14,;-1.58,-13.24,;-.25,-14,;1.08,-13.24,;-.25,-15.54,;-4.25,-16.31,;-4.24,-17.85,;9.09,-20.91,;9.09,-22.45,;10.43,-20.14,;11.76,-20.9,;11.76,-22.44,;13.1,-23.21,;13.1,-24.75,;14.43,-25.53,;14.43,-27.07,;13.1,-27.83,;15.77,-27.84,;13.1,-20.13,;13.1,-18.59,;14.43,-20.9,;15.76,-20.13,;15.76,-18.59,;17.09,-17.82,;18.49,-18.44,;19.52,-17.3,;18.76,-15.96,;19.23,-14.49,;18.19,-13.36,;16.69,-13.67,;16.21,-15.14,;17.25,-16.29,;17.09,-20.9,;18.42,-20.13,;17.09,-22.44,)| Show InChI InChI=1S/C43H57N13O6/c1-25(2)19-34(41(62)54-32(13-8-18-49-42(45)46)40(61)55-33(37(44)58)21-29-23-50-31-12-7-6-11-30(29)31)53-36(57)24-51-39(60)35(20-26-9-4-3-5-10-26)56-38(59)28-16-14-27(15-17-28)22-52-43(47)48/h3-7,9-12,14-17,23,25,32-35,50H,8,13,18-22,24H2,1-2H3,(H2,44,58)(H,51,60)(H,53,57)(H,54,62)(H,55,61)(H,56,59)(H4,45,46,49)(H4,47,48,52)/t32-,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216075
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)CC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NC(CCC\[NH+]=C(/N)[NH-])C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C41H51N11O8/c1-24(2)19-33(48-35(53)23-47-38(56)34(20-25-9-4-3-5-10-25)51-37(55)26-14-16-28(17-15-26)52(59)60)40(58)49-31(13-8-18-45-41(43)44)39(57)50-32(36(42)54)21-27-22-46-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,46H,8,13,18-21,23H2,1-2H3,(H11,42,43,44,45,47,48,49,50,51,53,54,55,56,57,58) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216086
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,48.49,wD:37.38,(11.42,-13.89,;11.42,-15.43,;12.75,-16.21,;10.08,-16.21,;10.08,-17.75,;8.75,-18.51,;7.42,-17.74,;7.42,-16.19,;6.08,-18.51,;4.74,-17.75,;3.41,-18.51,;3.41,-20.06,;2.08,-17.75,;2.08,-16.21,;3.41,-15.43,;4.74,-16.2,;6.08,-15.43,;6.07,-13.89,;4.74,-13.12,;3.4,-13.89,;.74,-18.52,;-.59,-17.74,;-.59,-16.21,;-1.91,-18.51,;-1.91,-20.04,;-.58,-20.8,;-3.23,-20.81,;-3.23,-22.34,;-4.57,-20.04,;-5.9,-20.81,;-4.57,-18.5,;-5.9,-17.73,;-3.24,-17.74,;-3.24,-16.2,;11.42,-18.51,;11.42,-20.05,;12.75,-17.74,;14.09,-18.5,;14.09,-20.04,;15.42,-20.81,;15.42,-22.35,;16.76,-23.12,;16.76,-24.66,;15.43,-25.43,;18.09,-25.44,;15.42,-17.72,;15.42,-16.18,;16.75,-18.5,;18.09,-17.73,;18.09,-16.18,;19.42,-15.42,;20.82,-16.04,;21.85,-14.9,;21.08,-13.56,;21.56,-12.09,;20.52,-10.95,;19.01,-11.27,;18.54,-12.74,;19.58,-13.88,;19.42,-18.5,;20.75,-17.73,;19.42,-20.04,)| Show InChI InChI=1S/C41H47F5N10O6/c1-20(2)15-27(39(61)54-25(13-8-14-50-41(48)49)38(60)55-26(36(47)58)17-22-18-51-24-12-7-6-11-23(22)24)53-29(57)19-52-37(59)28(16-21-9-4-3-5-10-21)56-40(62)30-31(42)33(44)35(46)34(45)32(30)43/h3-7,9-12,18,20,25-28,51H,8,13-17,19H2,1-2H3,(H2,47,58)(H,52,59)(H,53,57)(H,54,61)(H,55,60)(H,56,62)(H4,48,49,50)/t25-,26-,27-,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216063
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(10.78,-39.49,;10.78,-41.03,;12.11,-41.8,;9.44,-41.8,;9.44,-43.34,;8.11,-44.11,;6.77,-43.34,;6.77,-41.79,;5.44,-44.11,;4.1,-43.34,;2.76,-44.11,;2.76,-45.65,;1.43,-43.34,;1.43,-41.8,;2.76,-41.03,;4.09,-41.8,;5.43,-41.03,;5.43,-39.48,;4.1,-38.72,;2.76,-39.49,;.1,-44.11,;-1.23,-43.34,;-2.56,-44.11,;-1.23,-41.81,;.1,-41.04,;.1,-39.51,;-1.23,-38.74,;-1.23,-37.2,;-2.56,-39.51,;-2.56,-41.05,;10.78,-44.11,;10.78,-45.64,;12.11,-43.33,;13.44,-44.1,;13.44,-45.64,;14.78,-46.41,;14.78,-47.94,;16.11,-48.72,;16.12,-50.26,;14.79,-51.03,;17.45,-51.03,;14.78,-43.32,;14.78,-41.78,;16.11,-44.1,;17.45,-43.33,;17.45,-41.78,;18.77,-41.01,;20.18,-41.64,;21.21,-40.49,;20.44,-39.16,;20.92,-37.69,;19.88,-36.55,;18.37,-36.86,;17.89,-38.33,;18.93,-39.48,;18.77,-44.09,;20.1,-43.32,;18.77,-45.63,)| Show InChI InChI=1S/C41H52N10O7/c1-24(2)19-33(48-35(53)23-47-38(56)34(20-25-9-4-3-5-10-25)51-37(55)26-14-16-28(52)17-15-26)40(58)49-31(13-8-18-45-41(43)44)39(57)50-32(36(42)54)21-27-22-46-30-12-7-6-11-29(27)30/h3-7,9-12,14-17,22,24,31-34,46,52H,8,13,18-21,23H2,1-2H3,(H2,42,54)(H,47,56)(H,48,53)(H,49,58)(H,50,57)(H,51,55)(H4,43,44,45)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216073
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,43.44,wD:32.33,(8.11,-8.18,;8.11,-9.73,;9.44,-10.5,;6.77,-10.5,;6.77,-12.04,;5.44,-12.81,;4.1,-12.03,;4.1,-10.49,;2.77,-12.8,;1.43,-12.04,;.1,-12.81,;.1,-14.35,;-1.23,-12.04,;-1.23,-10.5,;.09,-9.73,;1.43,-10.49,;2.76,-9.72,;2.76,-8.18,;1.43,-7.42,;.09,-8.19,;-2.57,-12.81,;-3.9,-12.04,;-5.23,-12.8,;-3.9,-10.5,;-2.57,-9.73,;-2.57,-8.2,;-3.9,-7.43,;-5.23,-8.2,;-5.23,-9.74,;8.11,-12.8,;8.11,-14.34,;9.44,-12.03,;10.78,-12.8,;10.78,-14.33,;12.11,-15.1,;12.11,-16.64,;13.44,-17.42,;13.45,-18.96,;12.12,-19.72,;14.78,-19.73,;12.11,-12.02,;12.11,-10.48,;13.44,-12.79,;14.78,-12.03,;14.78,-10.48,;16.11,-9.71,;17.51,-10.33,;18.54,-9.19,;17.77,-7.85,;18.25,-6.38,;17.21,-5.25,;15.7,-5.56,;15.23,-7.03,;16.26,-8.18,;16.11,-12.79,;17.43,-12.02,;16.11,-14.33,)| Show InChI InChI=1S/C40H51N11O6/c1-24(2)18-32(48-34(52)23-47-37(55)33(19-25-10-4-3-5-11-25)51-36(54)26-12-8-16-44-21-26)39(57)49-30(15-9-17-45-40(42)43)38(56)50-31(35(41)53)20-27-22-46-29-14-7-6-13-28(27)29/h3-8,10-14,16,21-22,24,30-33,46H,9,15,17-20,23H2,1-2H3,(H2,41,53)(H,47,55)(H,48,52)(H,49,57)(H,50,56)(H,51,54)(H4,42,43,45)/t30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216080
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CNC(C)=O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,48.49,wD:37.38,(8.21,-9.67,;8.21,-11.21,;9.54,-11.99,;6.87,-11.99,;6.87,-13.53,;5.54,-14.29,;4.2,-13.52,;4.2,-11.98,;2.87,-14.29,;1.53,-13.53,;.2,-14.3,;.2,-15.84,;-1.13,-13.53,;-1.13,-11.99,;.19,-11.21,;1.53,-11.98,;2.86,-11.21,;2.86,-9.67,;1.53,-8.9,;.19,-9.67,;-2.47,-14.3,;-3.8,-13.53,;-5.13,-14.29,;-3.8,-12,;-2.47,-11.23,;-2.46,-9.7,;-3.79,-8.93,;-3.8,-7.39,;-2.47,-6.62,;-1.14,-7.39,;.19,-6.62,;-1.14,-8.92,;-5.13,-9.7,;-5.12,-11.23,;8.21,-14.29,;8.21,-15.83,;9.54,-13.52,;10.88,-14.28,;10.88,-15.82,;12.21,-16.59,;12.21,-18.13,;13.54,-18.91,;13.55,-20.45,;12.22,-21.21,;14.88,-21.22,;12.21,-13.51,;12.21,-11.97,;13.54,-14.28,;14.88,-13.51,;14.88,-11.97,;16.21,-11.2,;17.61,-11.82,;18.64,-10.68,;17.87,-9.34,;18.35,-7.87,;17.31,-6.73,;15.8,-7.05,;15.33,-8.52,;16.36,-9.66,;16.21,-14.28,;17.53,-13.51,;16.21,-15.82,)| Show InChI InChI=1S/C44H57N11O7/c1-26(2)20-36(43(62)53-34(14-9-19-48-44(46)47)42(61)54-35(39(45)58)22-31-24-50-33-13-8-7-12-32(31)33)52-38(57)25-51-41(60)37(21-28-10-5-4-6-11-28)55-40(59)30-17-15-29(16-18-30)23-49-27(3)56/h4-8,10-13,15-18,24,26,34-37,50H,9,14,19-23,25H2,1-3H3,(H2,45,58)(H,49,56)(H,51,60)(H,52,57)(H,53,62)(H,54,61)(H,55,59)(H4,46,47,48)/t34-,35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.990 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216082
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,42.43,wD:31.32,(8.11,-42.03,;8.11,-43.57,;9.44,-44.35,;6.78,-44.35,;6.78,-45.89,;5.44,-46.65,;4.11,-45.88,;4.11,-44.34,;2.77,-46.65,;1.44,-45.89,;.1,-46.65,;.1,-48.2,;-1.23,-45.89,;-1.23,-44.35,;.1,-43.57,;1.43,-44.34,;2.77,-43.57,;2.76,-42.03,;1.43,-41.26,;.09,-42.03,;-2.56,-46.66,;-3.9,-45.89,;-5.23,-46.65,;-3.89,-44.34,;-2.65,-43.44,;-3.12,-41.98,;-4.66,-41.98,;-5.13,-43.44,;8.11,-46.65,;8.11,-48.19,;9.44,-45.88,;10.78,-46.64,;10.78,-48.18,;12.12,-48.95,;12.12,-50.49,;13.45,-51.26,;13.45,-52.8,;12.12,-53.57,;14.78,-53.58,;12.12,-45.87,;12.12,-44.33,;13.45,-46.64,;14.78,-45.87,;14.78,-44.33,;16.11,-43.56,;17.51,-44.18,;18.54,-43.04,;17.77,-41.7,;18.25,-40.23,;17.21,-39.1,;15.7,-39.41,;15.23,-40.88,;16.27,-42.03,;16.11,-46.64,;17.44,-45.87,;16.11,-48.18,)| Show InChI InChI=1S/C38H50N12O6/c1-22(2)15-29(47-32(51)20-45-34(53)30(16-23-9-4-3-5-10-23)50-37(56)31-19-42-21-46-31)36(55)48-27(13-8-14-43-38(40)41)35(54)49-28(33(39)52)17-24-18-44-26-12-7-6-11-25(24)26/h3-7,9-12,18-19,21-22,27-30,44H,8,13-17,20H2,1-2H3,(H2,39,52)(H,42,46)(H,45,53)(H,47,51)(H,48,55)(H,49,54)(H,50,56)(H4,40,41,43)/t27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216085
((2S)-2-{2-[(2S)-2-[(2-aminophenyl)formamido]-3-phe...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(8.26,-8.02,;8.26,-9.56,;9.59,-10.33,;6.93,-10.33,;6.93,-11.87,;5.59,-12.64,;4.26,-11.87,;4.26,-10.32,;2.93,-12.64,;1.59,-11.88,;.25,-12.64,;.25,-14.19,;-1.08,-11.88,;-1.08,-10.34,;.25,-9.56,;1.58,-10.33,;2.92,-9.56,;2.92,-8.02,;1.58,-7.25,;.24,-8.02,;-2.41,-12.65,;-3.74,-11.87,;-5.07,-12.64,;-3.74,-10.34,;-2.41,-9.57,;-2.41,-8.04,;-3.74,-7.27,;-5.08,-8.04,;-5.07,-9.57,;-6.4,-10.34,;8.26,-12.64,;8.26,-14.18,;9.6,-11.87,;10.93,-12.63,;10.93,-14.17,;12.27,-14.94,;12.27,-16.48,;13.6,-17.25,;13.6,-18.79,;12.27,-19.56,;14.94,-19.56,;12.27,-11.85,;12.27,-10.31,;13.6,-12.63,;14.93,-11.86,;14.93,-10.31,;16.26,-9.55,;17.66,-10.17,;18.69,-9.02,;17.93,-7.69,;18.4,-6.22,;17.36,-5.08,;15.86,-5.4,;15.38,-6.87,;16.42,-8.01,;16.26,-12.63,;17.59,-11.86,;16.26,-14.16,)| Show InChI InChI=1S/C41H53N11O6/c1-24(2)19-33(49-35(53)23-48-38(56)34(20-25-11-4-3-5-12-25)52-37(55)28-14-6-8-15-29(28)42)40(58)50-31(17-10-18-46-41(44)45)39(57)51-32(36(43)54)21-26-22-47-30-16-9-7-13-27(26)30/h3-9,11-16,22,24,31-34,47H,10,17-21,23,42H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216066
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:11.11,26.27,45.46,wD:34.35,(-4.77,-35.15,;-6.1,-35.92,;-6.1,-37.45,;-4.77,-38.22,;-4.77,-39.76,;-6.1,-40.52,;-7.43,-39.76,;-7.43,-38.23,;-6.1,-42.05,;-7.43,-42.82,;-4.77,-42.83,;-3.44,-42.05,;-3.44,-40.51,;-2.11,-39.74,;-.78,-40.51,;.56,-39.74,;.56,-38.2,;-.77,-37.43,;-2.11,-38.2,;-2.11,-42.82,;-2.11,-44.37,;-.77,-42.06,;.57,-42.82,;1.9,-42.05,;1.9,-40.5,;3.24,-42.82,;4.57,-42.05,;4.57,-40.51,;5.91,-39.74,;5.91,-38.2,;7.24,-40.51,;5.91,-42.82,;5.91,-44.36,;7.24,-42.04,;8.57,-42.81,;8.57,-44.35,;9.91,-45.12,;9.91,-46.66,;11.24,-47.43,;11.25,-48.97,;9.92,-49.74,;12.58,-49.74,;9.91,-42.03,;9.91,-40.49,;11.24,-42.81,;12.58,-42.04,;12.58,-40.49,;13.9,-39.73,;15.31,-40.35,;16.34,-39.2,;15.57,-37.87,;16.05,-36.4,;15.01,-35.26,;13.5,-35.58,;13.02,-37.05,;14.06,-38.19,;13.9,-42.81,;15.23,-42.04,;13.9,-44.34,)| Show InChI InChI=1S/C42H54N10O7/c1-25(2)20-34(49-36(53)24-48-39(56)35(21-26-10-5-4-6-11-26)52-38(55)27-15-17-29(59-3)18-16-27)41(58)50-32(14-9-19-46-42(44)45)40(57)51-33(37(43)54)22-28-23-47-31-13-8-7-12-30(28)31/h4-8,10-13,15-18,23,25,32-35,47H,9,14,19-22,24H2,1-3H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t32-,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216074
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,43.44,wD:32.33,(6.72,4.32,;6.72,2.78,;8.05,2.01,;5.39,2.01,;5.39,.47,;4.05,-.3,;2.72,.47,;2.72,2.02,;1.38,-.29,;.04,.47,;-1.29,-.3,;-1.29,-1.84,;-2.62,.47,;-2.62,2.01,;-1.29,2.78,;.04,2.01,;1.38,2.79,;1.37,4.33,;.04,5.09,;-1.3,4.32,;-3.95,-.3,;-5.29,.47,;-6.62,-.29,;-5.29,2.01,;-3.96,2.77,;-3.96,4.31,;-5.29,5.08,;-6.62,4.3,;-6.62,2.77,;6.72,-.3,;6.72,-1.83,;8.05,.48,;9.39,-.29,;9.39,-1.82,;10.73,-2.59,;10.73,-4.13,;12.06,-4.91,;12.06,-6.45,;10.73,-7.21,;13.39,-7.22,;10.73,.49,;10.73,2.03,;12.05,-.29,;13.39,.48,;13.39,2.03,;14.72,2.8,;16.12,2.18,;17.15,3.32,;16.38,4.66,;16.86,6.13,;15.82,7.26,;14.31,6.95,;13.84,5.48,;14.88,4.33,;14.72,-.28,;16.05,.49,;14.72,-1.82,)| Show InChI InChI=1S/C40H51N11O6/c1-24(2)19-32(48-34(52)23-47-37(55)33(20-25-9-4-3-5-10-25)51-36(54)26-14-17-44-18-15-26)39(57)49-30(13-8-16-45-40(42)43)38(56)50-31(35(41)53)21-27-22-46-29-12-7-6-11-28(27)29/h3-7,9-12,14-15,17-18,22,24,30-33,46H,8,13,16,19-21,23H2,1-2H3,(H2,41,53)(H,47,55)(H,48,52)(H,49,57)(H,50,56)(H,51,54)(H4,42,43,45)/t30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216083
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,42.43,wD:31.32,(6.66,3.54,;6.66,2,;7.99,1.23,;5.32,1.23,;5.32,-.31,;3.99,-1.08,;2.66,-.31,;2.66,1.24,;1.32,-1.08,;-.02,-.31,;-1.35,-1.08,;-1.35,-2.62,;-2.68,-.31,;-2.68,1.23,;-1.35,2,;-.02,1.23,;1.31,2,;1.31,3.54,;-.02,4.31,;-1.36,3.54,;-4.02,-1.08,;-5.35,-.31,;-6.68,-1.08,;-5.34,1.23,;-4.1,2.13,;-4.57,3.59,;-6.11,3.6,;-6.58,2.14,;6.66,-1.08,;6.66,-2.62,;7.99,-.3,;9.33,-1.07,;9.33,-2.61,;10.66,-3.38,;10.66,-4.92,;12,-5.69,;12,-7.23,;10.67,-8,;13.33,-8,;10.66,-.29,;10.66,1.25,;11.99,-1.07,;13.33,-.3,;13.33,1.25,;14.66,2.01,;16.06,1.39,;17.09,2.54,;16.32,3.87,;16.8,5.34,;15.76,6.48,;14.25,6.16,;13.78,4.69,;14.82,3.55,;14.66,-1.06,;15.99,-.3,;14.66,-2.6,)| Show InChI InChI=1S/C39H51N11O6/c1-23(2)18-31(47-33(51)22-46-35(53)32(19-24-10-4-3-5-11-24)50-36(54)28-14-8-16-43-28)38(56)48-29(15-9-17-44-39(41)42)37(55)49-30(34(40)52)20-25-21-45-27-13-7-6-12-26(25)27/h3-8,10-14,16,21,23,29-32,43,45H,9,15,17-20,22H2,1-2H3,(H2,40,52)(H,46,53)(H,47,51)(H,48,56)(H,49,55)(H,50,54)(H4,41,42,44)/t29-,30-,31-,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216064
((2S)-2-{2-[(2S)-2-[(3-aminophenyl)formamido]-3-phe...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,44.45,wD:33.34,(6.58,4.14,;6.58,2.6,;7.91,1.82,;5.25,1.82,;5.25,.28,;3.91,-.48,;2.58,.29,;2.58,1.84,;1.24,-.48,;-.09,.28,;-1.43,-.48,;-1.43,-2.03,;-2.76,.28,;-2.76,1.82,;-1.43,2.6,;-.1,1.83,;1.24,2.6,;1.23,4.14,;-.1,4.91,;-1.44,4.14,;-4.09,-.49,;-5.43,.29,;-6.76,-.48,;-5.42,1.82,;-4.1,2.59,;-4.1,4.12,;-5.43,4.89,;-6.76,4.12,;-8.09,4.88,;-6.76,2.59,;6.58,-.48,;6.58,-2.02,;7.91,.29,;9.25,-.47,;9.25,-2.01,;10.59,-2.78,;10.59,-4.32,;11.92,-5.09,;11.92,-6.63,;10.59,-7.4,;13.26,-7.41,;10.59,.31,;10.59,1.85,;11.92,-.47,;13.25,.3,;13.25,1.85,;14.58,2.61,;15.98,1.99,;17.01,3.13,;16.24,4.47,;16.72,5.94,;15.68,7.08,;14.17,6.76,;13.7,5.29,;14.74,4.15,;14.58,-.47,;15.91,.3,;14.58,-2.01,)| Show InChI InChI=1S/C41H53N11O6/c1-24(2)18-33(49-35(53)23-48-38(56)34(19-25-10-4-3-5-11-25)52-37(55)26-12-8-13-28(42)20-26)40(58)50-31(16-9-17-46-41(44)45)39(57)51-32(36(43)54)21-27-22-47-30-15-7-6-14-29(27)30/h3-8,10-15,20,22,24,31-34,47H,9,16-19,21,23,42H2,1-2H3,(H2,43,54)(H,48,56)(H,49,53)(H,50,58)(H,51,57)(H,52,55)(H4,44,45,46)/t31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216079
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,43.44,wD:32.33,(8.46,-23.31,;8.46,-24.85,;9.79,-25.63,;7.12,-25.63,;7.12,-27.17,;5.79,-27.93,;4.45,-27.16,;4.45,-25.61,;3.12,-27.93,;1.78,-27.17,;.45,-27.93,;.45,-29.48,;-.88,-27.17,;-.88,-25.63,;.44,-24.85,;1.78,-25.62,;3.11,-24.85,;3.11,-23.31,;1.78,-22.54,;.44,-23.31,;-2.22,-27.94,;-3.55,-27.16,;-4.88,-27.93,;-3.55,-25.63,;-2.22,-24.86,;-2.22,-23.33,;-3.55,-22.56,;-4.88,-23.33,;-4.88,-24.86,;8.46,-27.93,;8.46,-29.47,;9.79,-27.16,;11.13,-27.92,;11.13,-29.46,;12.46,-30.23,;12.46,-31.77,;13.79,-32.54,;13.8,-34.08,;12.47,-34.85,;15.13,-34.86,;12.46,-27.14,;12.46,-25.6,;13.79,-27.92,;15.13,-27.15,;15.13,-25.6,;16.45,-24.84,;17.86,-25.46,;18.89,-24.32,;18.12,-22.98,;18.6,-21.51,;17.56,-20.37,;16.05,-20.69,;15.58,-22.16,;16.61,-23.3,;16.45,-27.92,;17.78,-27.15,;16.45,-29.46,)| Show InChI InChI=1S/C40H51N11O6/c1-24(2)19-32(48-34(52)23-47-36(54)33(20-25-11-4-3-5-12-25)51-37(55)29-15-8-9-17-44-29)39(57)49-30(16-10-18-45-40(42)43)38(56)50-31(35(41)53)21-26-22-46-28-14-7-6-13-27(26)28/h3-9,11-15,17,22,24,30-33,46H,10,16,18-21,23H2,1-2H3,(H2,41,53)(H,47,54)(H,48,52)(H,49,57)(H,50,56)(H,51,55)(H4,42,43,45)/t30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
KiSS-1 receptor
(Homo sapiens (Human)) | BDBM50216084
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CO)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:12.20,4.4,45.46,wD:34.35,(6.53,-25.13,;6.53,-26.67,;7.86,-27.44,;5.2,-27.44,;5.2,-28.98,;3.86,-29.75,;2.53,-28.98,;2.53,-27.43,;1.2,-29.75,;-.14,-28.98,;-1.48,-29.75,;-1.48,-31.29,;-2.81,-28.98,;-2.81,-27.44,;-1.48,-26.67,;-.15,-27.44,;1.19,-26.67,;1.19,-25.12,;-.15,-24.36,;-1.49,-25.13,;-4.14,-29.75,;-5.47,-28.98,;-6.8,-29.75,;-5.47,-27.45,;-4.14,-26.68,;-4.14,-25.15,;-5.47,-24.38,;-5.47,-22.84,;-4.14,-22.08,;-6.8,-25.16,;-6.8,-26.69,;6.54,-29.75,;6.54,-31.29,;7.87,-28.97,;9.2,-29.74,;9.2,-31.28,;10.54,-32.05,;10.54,-33.59,;11.87,-34.36,;11.87,-35.9,;10.54,-36.67,;13.21,-36.67,;10.54,-28.96,;10.54,-27.42,;11.87,-29.74,;13.2,-28.97,;13.2,-27.42,;14.53,-26.66,;15.93,-27.28,;16.96,-26.13,;16.2,-24.8,;16.67,-23.33,;15.63,-22.19,;14.13,-22.51,;13.65,-23.97,;14.69,-25.12,;14.53,-29.73,;15.86,-28.97,;14.53,-31.27,)| Show InChI InChI=1S/C42H54N10O7/c1-25(2)19-34(49-36(54)23-48-39(57)35(20-26-9-4-3-5-10-26)52-38(56)28-16-14-27(24-53)15-17-28)41(59)50-32(13-8-18-46-42(44)45)40(58)51-33(37(43)55)21-29-22-47-31-12-7-6-11-30(29)31/h3-7,9-12,14-17,22,25,32-35,47,53H,8,13,18-21,23-24H2,1-2H3,(H2,43,55)(H,48,57)(H,49,54)(H,50,59)(H,51,58)(H,52,56)(H4,44,45,46)/t32-,33-,34-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization |
J Med Chem 50: 3222-8 (2007)
Article DOI: 10.1021/jm070064l
BindingDB Entry DOI: 10.7270/Q2028R81 |
More data for this
Ligand-Target Pair | |
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