Found 251 hits with Last Name = 'boden' and Initial = 'p' 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 |
|---|
Cholecystokinin receptor type A
(RAT) | BDBM21147
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas. |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
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| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas. |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50033600
(Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMBL...)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:14.16,29.32,41.45,1.0,wD:14.15,6.6,3.3,TLB:8:6:44:1.43.2,8:1:9.6.5:44,10:9:1.8.43:3.5.44,THB:2:3:9:1.8.43,2:1:9:3.5.44,(.78,-3.99,;.75,-5.53,;-.6,-6,;-.58,-7.49,;-2.01,-6.93,;.74,-7.97,;2.13,-7.64,;3.09,-4.97,;2.15,-6.11,;1.12,-8.9,;2.61,-9.32,;3.7,-8.22,;3.41,-6.97,;5.18,-8.64,;6.27,-7.55,;4.94,-6.78,;6.3,-6.01,;6.78,-4.56,;5.87,-3.32,;6.78,-2.06,;8.25,-2.55,;9.57,-1.76,;10.91,-2.53,;10.91,-4.09,;9.57,-4.86,;8.25,-4.09,;7.6,-8.32,;8.93,-7.55,;7.6,-9.86,;8.93,-10.63,;10.25,-9.86,;11.79,-9.85,;12.56,-11.18,;12.56,-8.5,;8.93,-12.17,;10.27,-12.94,;10.25,-14.48,;11.58,-15.25,;12.91,-14.48,;12.91,-12.94,;11.59,-12.17,;-.28,-8.34,;-.37,-9.86,;-.29,-6.75,;-1.79,-8.77,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21-,22+,23-,24+,26-,30?,33+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas. |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062005
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50291261
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1 | PDB
Reactome pathway
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antibodypedia
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| Article
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells |
Bioorg Med Chem Lett 5: 1773-1778 (1995)
Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033586
(3-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indol-3...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:22:18.24.19,17:18:22:15.16.21,THB:17:16:22:18.24.19,19:20:15:18.17.24,19:18:15:20.22.21,(4.56,-2.63,;5.88,-3.4,;5.9,-1.86,;6.38,-.4,;5.47,.83,;6.38,2.09,;7.84,1.6,;9.18,2.4,;10.5,1.63,;10.5,.06,;9.18,-.71,;7.84,.06,;4.79,-4.47,;3.3,-4.07,;2.92,-2.58,;2,-4.89,;1.89,-6.4,;2.74,-7.71,;1.17,-6.96,;-.25,-7.42,;-1.11,-6.29,;.39,-6.9,;-.98,-4.78,;.46,-4.31,;1.23,-5.55,;7.22,-4.17,;8.53,-3.4,;7.2,-5.71,;8.53,-6.48,;9.86,-5.69,;11.4,-5.69,;12.17,-4.36,;12.17,-7.03,;8.53,-8.02,;9.86,-8.79,;9.85,-10.33,;11.18,-11.08,;12.51,-10.33,;12.51,-8.79,;11.23,-7.99,)| Show InChI InChI=1S/C33H39N3O4/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,32(40)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-31(39)30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,40)(H,36,39)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM21147
((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 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033600
(Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMBL...)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:14.16,29.32,41.45,1.0,wD:14.15,6.6,3.3,TLB:8:6:44:1.43.2,8:1:9.6.5:44,10:9:1.8.43:3.5.44,THB:2:3:9:1.8.43,2:1:9:3.5.44,(.78,-3.99,;.75,-5.53,;-.6,-6,;-.58,-7.49,;-2.01,-6.93,;.74,-7.97,;2.13,-7.64,;3.09,-4.97,;2.15,-6.11,;1.12,-8.9,;2.61,-9.32,;3.7,-8.22,;3.41,-6.97,;5.18,-8.64,;6.27,-7.55,;4.94,-6.78,;6.3,-6.01,;6.78,-4.56,;5.87,-3.32,;6.78,-2.06,;8.25,-2.55,;9.57,-1.76,;10.91,-2.53,;10.91,-4.09,;9.57,-4.86,;8.25,-4.09,;7.6,-8.32,;8.93,-7.55,;7.6,-9.86,;8.93,-10.63,;10.25,-9.86,;11.79,-9.85,;12.56,-11.18,;12.56,-8.5,;8.93,-12.17,;10.27,-12.94,;10.25,-14.48,;11.58,-15.25,;12.91,-14.48,;12.91,-12.94,;11.59,-12.17,;-.28,-8.34,;-.37,-9.86,;-.29,-6.75,;-1.79,-8.77,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21-,22+,23-,24+,26-,30?,33+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50456331
(CHEMBL2111203)Show SMILES O.CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1 Show InChI InChI=1S/C29H37N3O4.H2O/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21;/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35);1H2/t20?,23?,26?,29-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50456329
(CHEMBL2111261)Show SMILES O.[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:15.15,42.45,2.0,wD:15.16,30.32,7.6,4.3,TLB:9:7:45:2.44.3,9:2:10.7.6:45,11:10:2.9.44:4.6.45,THB:3:4:10:2.9.44,3:2:10:4.6.45,(18.02,-11.65,;.78,-3.99,;.75,-5.53,;-.6,-6,;-.58,-7.49,;-2.01,-6.93,;.74,-7.97,;2.13,-7.64,;3.09,-4.97,;2.15,-6.11,;1.12,-8.9,;2.61,-9.32,;3.7,-8.22,;3.41,-6.97,;5.18,-8.64,;6.27,-7.55,;4.94,-6.78,;6.3,-6.01,;6.78,-4.56,;5.87,-3.32,;6.78,-2.06,;8.25,-2.55,;9.57,-1.76,;10.91,-2.53,;10.91,-4.09,;9.57,-4.86,;8.25,-4.09,;7.6,-8.32,;8.93,-7.55,;7.6,-9.86,;8.93,-10.63,;10.25,-9.86,;11.79,-9.85,;12.56,-11.18,;12.56,-8.5,;8.93,-12.17,;10.27,-12.94,;10.25,-14.48,;11.58,-15.25,;12.91,-14.48,;12.91,-12.94,;11.59,-12.17,;-.28,-8.34,;-.37,-9.86,;-.29,-6.75,;-1.79,-8.77,)| Show InChI InChI=1S/C33H39N3O5.H2O/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21;/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38);1H2/t21-,22+,23-,24+,26-,30?,33+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033587
((1R,2R)-[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoy...)Show SMILES CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20?,23-,26?,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033606
(3-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indo...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 |wU:29.34,1.0,wD:1.13,TLB:21:16:24:20.22.19,21:20:15.16.17:24,THB:13:15:24:20.22.19,19:18:15:20.22.21,19:20:15:18.17.24,(7.9,-1.29,;9.25,-2.06,;9.25,-.52,;9.73,.93,;8.83,2.18,;9.73,3.43,;11.21,2.95,;12.52,3.72,;13.87,2.95,;13.87,1.41,;12.52,.64,;11.21,1.41,;8.16,-3.14,;6.67,-2.74,;6.27,-1.25,;5.26,-3.38,;3.83,-2.58,;4.41,-3.89,;4.14,-5.29,;2.67,-5.55,;1.99,-4.3,;2.32,-2.82,;3.37,-5.11,;4.94,-4.86,;5.59,-6.27,;10.57,-2.83,;11.9,-2.06,;10.57,-4.37,;11.9,-5.14,;11.88,-6.67,;10.56,-7.45,;10.56,-8.99,;11.88,-9.76,;9.22,-9.75,;7.89,-8.98,;6.56,-9.75,;6.54,-11.29,;5.21,-8.98,;13.23,-7.45,;14.58,-6.65,;15.88,-7.45,;15.88,-8.99,;14.54,-9.76,;13.22,-8.99,)| Show InChI InChI=1S/C35H40N4O5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-33(43)32-24-14-21-13-22(16-24)17-25(32)15-21)34(44)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,44)(H,38,40)(H,39,43)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033604
(3-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indo...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:18:15:20.21.22,19:20:15:18.17.24,(4.56,-2.64,;5.89,-3.41,;5.91,-1.86,;6.4,-.4,;5.48,.84,;6.4,2.09,;7.85,1.61,;9.19,2.4,;10.52,1.63,;10.52,.06,;9.19,-.71,;7.85,.06,;4.8,-4.48,;3.31,-4.08,;2.92,-2.58,;2,-4.9,;.46,-4.32,;-.99,-4.79,;-1.11,-6.3,;-.25,-7.44,;1.17,-6.98,;1.23,-5.56,;2.74,-7.73,;1.9,-6.41,;.39,-6.91,;7.23,-4.18,;8.55,-3.41,;7.21,-5.72,;8.55,-6.49,;9.88,-5.7,;11.22,-6.46,;12.55,-5.69,;12.54,-4.15,;13.89,-6.43,;15.21,-5.66,;16.56,-6.41,;17.9,-5.62,;16.59,-7.95,;8.55,-8.04,;9.88,-8.81,;11.25,-8,;12.54,-8.81,;12.54,-10.35,;11.2,-11.1,;9.87,-10.35,)| Show InChI InChI=1S/C36H42N4O5/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-34(44)33-25-14-23-13-24(16-25)17-26(33)15-23)35(45)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,45)(H,40,44)(H,42,43)/b12-11+/t23?,24?,25?,26?,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50024321
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062000
(2-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C(O)=O |wU:1.13,wD:1.0,TLB:15:16:23:19.25.20,18:19:23:16.17.22,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.23.22,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.51,-11.72,;-5.92,-11.15,;-7.41,-11.57,;-6.22,-10.29,;-4.89,-10.78,;-6.22,-8.8,;-4.87,-8.32,;-5.92,-9.55,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;5.04,-3.54,;3.15,-5.42,)| Show InChI InChI=1S/C30H39N3O5/c1-30(15-21-16-31-24-8-4-2-6-22(21)24,28(36)32-25-9-5-3-7-23(25)27(34)35)33-29(37)38-26-19-11-17-10-18(13-19)14-20(26)12-17/h2,4,6,8,16-20,23,25-26,31H,3,5,7,9-15H2,1H3,(H,32,36)(H,33,37)(H,34,35)/t17?,18?,19?,20?,23?,25?,26?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033592
(3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclo...)Show SMILES C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:32.35| Show InChI InChI=1S/C33H40N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,16-17,20,22,25,28,34H,6,9-10,15,18-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25-,28?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033598
(CHEMBL345511 | N-{2-[2-[(Adamantane-2-carbonyl)-am...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:29.34,1.0,wD:1.13,TLB:24:23:21:18.17.19,THB:13:15:21:18.17.19,24:18:21:15.23.22,19:20:15:18.17.24,19:18:15:20.21.22,(7.9,-1.29,;9.25,-2.06,;9.25,-.52,;9.73,.93,;8.83,2.18,;9.73,3.43,;11.21,2.95,;12.52,3.72,;13.87,2.95,;13.87,1.41,;12.52,.64,;11.21,1.41,;8.16,-3.14,;6.67,-2.74,;6.27,-1.25,;5.26,-3.38,;4.94,-4.86,;3.37,-5.11,;1.99,-4.3,;2.67,-5.55,;4.14,-5.29,;5.59,-6.27,;4.41,-3.89,;3.83,-2.58,;2.32,-2.82,;10.57,-2.83,;11.9,-2.06,;10.57,-4.37,;11.9,-5.14,;11.88,-6.67,;10.56,-7.45,;10.56,-8.99,;11.88,-9.76,;9.22,-9.75,;7.89,-8.98,;6.56,-9.75,;6.54,-11.29,;5.21,-8.98,;13.23,-7.45,;14.58,-6.65,;15.88,-7.45,;15.88,-8.99,;14.54,-9.76,;13.22,-8.99,)| Show InChI InChI=1S/C35H42N4O5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-33(43)32-24-14-21-13-22(16-24)17-25(32)15-21)34(44)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,44)(H,38,40)(H,39,43)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50449787
(CHEMBL2062154 | PD-134308)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM50079412
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB |
J Med Chem 39: 1664-75 (1996)
Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50079412
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB |
J Med Chem 39: 1664-75 (1996)
Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062003
(CHEMBL138233 | [(R)-2-(1H-Indol-3-yl)-1-((R)-2-met...)Show SMILES COC[C@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:11.25,wD:11.12,3.2,TLB:36:35:33:30.29.31,THB:36:30:27.35.34:33,31:32:27:30.29.36,31:30:27:32.34.33,26:27:33:30.29.31,(8.73,-11.26,;8.31,-9.76,;6.82,-9.39,;6.39,-7.89,;7.35,-6.69,;6.5,-5.4,;5.01,-5.81,;4.94,-7.37,;3.66,-8.22,;2.42,-7.49,;2.39,-6.11,;1.13,-8.17,;1.12,-6.79,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.78,;4.38,-13.93,;5.88,-13.62,;6.36,-12.15,;5.33,-11,;3.84,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.97,;-2.92,-7.82,;-4.21,-8.66,;-4.23,-10.21,;-5.63,-10.55,;-6.95,-10.06,;-8.16,-11.33,;-6.64,-10.91,;-5.24,-11.49,;-6.66,-9.32,;-5.61,-8.08,;-6.96,-8.57,)| Show InChI InChI=1S/C29H40N4O4/c1-29(15-22-16-30-25-8-4-3-7-24(22)25,27(34)32-33-9-5-6-23(33)17-36-2)31-28(35)37-26-20-11-18-10-19(13-20)14-21(26)12-18/h3-4,7-8,16,18-21,23,26,30H,5-6,9-15,17H2,1-2H3,(H,31,35)(H,32,34)/t18?,19?,20?,21?,23-,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061997
(CHEMBL138084 | [(R)-1-((1R,2R)-2-Hydroxy-cyclohexy...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCC[C@H]1O |wU:1.13,29.33,wD:34.40,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(8.08,-2.21,;8.11,-3.57,;8.18,-5.11,;9.56,-5.81,;8.32,-6.72,;8.78,-8.2,;10.33,-8.2,;11.36,-9.35,;12.86,-9.02,;13.32,-7.54,;12.29,-6.42,;10.8,-6.72,;6.72,-3.05,;5.44,-3.92,;5.46,-5.37,;4.03,-3.21,;2.75,-4.08,;2.75,-5.6,;1.34,-5.95,;.01,-5.46,;-1.19,-6.75,;.31,-6.33,;1.72,-6.89,;.31,-4.74,;1.37,-3.49,;.01,-3.99,;9.39,-2.89,;9.37,-1.51,;10.63,-3.61,;11.97,-2.86,;13.3,-3.61,;14.63,-2.86,;14.66,-1.32,;13.3,-.55,;11.97,-1.32,;10.87,-.22,)| Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24-,25-,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033593
(CHEMBL356599 | Succinic acid mono-{2-[2-[(adamanta...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:20:15:18.17.24,19:18:15:20.21.22,(4.56,-2.63,;5.88,-3.4,;5.9,-1.86,;6.38,-.4,;5.47,.83,;6.38,2.09,;7.84,1.6,;9.18,2.4,;10.5,1.63,;10.5,.06,;9.18,-.71,;7.84,.06,;4.79,-4.47,;3.3,-4.07,;2.92,-2.58,;1.9,-4.75,;.46,-3.99,;-1.03,-4.3,;-1.34,-5.79,;-.6,-7.01,;.87,-6.71,;1.09,-5.3,;2.35,-7.61,;1.65,-6.23,;.08,-6.56,;7.22,-4.17,;8.53,-3.4,;7.2,-5.71,;8.53,-6.48,;9.86,-5.69,;11.2,-6.45,;12.52,-5.68,;12.51,-4.14,;13.86,-6.42,;15.19,-5.65,;16.53,-6.4,;17.87,-5.61,;16.56,-7.94,;8.53,-8.02,;9.86,-8.79,;11.23,-7.99,;12.51,-8.79,;12.51,-10.33,;11.18,-11.08,;9.85,-10.33,)| Show InChI InChI=1S/C36H43N3O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,39-34(43)33-25-14-23-13-24(16-25)17-26(33)15-23)35(44)38-28(18-22-7-3-2-4-8-22)21-45-32(42)12-11-31(40)41/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,44)(H,39,43)(H,40,41)/t23?,24?,25?,26?,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061994
(CHEMBL138112 | [(R)-1-(2-Cyano-cyclohexylcarbamoyl...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C#N |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-4.87,-8.32,;-6.22,-8.8,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-5.92,-9.55,;-4.51,-11.72,;-3.48,-10.43,;-4.89,-10.78,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;3.54,-3.93,)| Show InChI InChI=1S/C30H38N4O3/c1-30(15-23-17-32-26-9-5-3-7-24(23)26,28(35)33-25-8-4-2-6-20(25)16-31)34-29(36)37-27-21-11-18-10-19(13-21)14-22(27)12-18/h3,5,7,9,17-22,25,27,32H,2,4,6,8,10-15H2,1H3,(H,33,35)(H,34,36)/t18?,19?,20?,21?,22?,25?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(HAMSTER) | BDBM50079412
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKA |
J Med Chem 39: 1664-75 (1996)
Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50050641
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as rad... |
Bioorg Med Chem Lett 5: 1773-1778 (1995)
Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM50050641
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as rad... |
Bioorg Med Chem Lett 5: 1773-1778 (1995)
Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033596
(CHEMBL153557 | N-{2-[3-(1H-Indol-3-yl)-2-methyl-2-...)Show SMILES C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C32H40N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,19,21,26-27,33H,6,9-10,15-18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/t21-,26-,27?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033599
(3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclo...)Show SMILES C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1 |w:32.35| Show InChI InChI=1S/C32H38N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,16-17,19,21,26-27,33H,6,9-10,15,18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/t21-,26-,27?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM50050641
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7] |
J Med Chem 39: 1664-75 (1996)
Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50050641
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7] |
J Med Chem 39: 1664-75 (1996)
Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033602
(CHEMBL359361 | N-{2-[2-[(Adamantane-2-carbonyl)-am...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:24:23:21:18.17.19,THB:13:15:21:18.17.19,24:18:15.23.22:21,19:18:15:20.22.21,19:20:15:18.17.24,(4.56,-2.64,;5.89,-3.41,;5.91,-1.86,;6.4,-.4,;5.48,.84,;6.4,2.09,;7.85,1.61,;9.19,2.4,;10.52,1.63,;10.52,.06,;9.19,-.71,;7.85,.06,;4.8,-4.48,;3.31,-4.08,;2.92,-2.58,;2,-4.9,;.46,-4.32,;1.23,-5.56,;1.17,-6.98,;-.25,-7.44,;-1.11,-6.3,;-.99,-4.79,;.39,-6.91,;1.9,-6.41,;2.74,-7.73,;7.23,-4.18,;8.55,-3.41,;7.21,-5.72,;8.55,-6.49,;9.88,-5.7,;11.22,-6.46,;12.55,-5.69,;12.54,-4.15,;13.89,-6.43,;15.21,-5.66,;16.56,-6.41,;17.9,-5.62,;16.59,-7.95,;8.55,-8.04,;9.88,-8.81,;11.25,-8,;12.54,-8.81,;12.54,-10.35,;11.2,-11.1,;9.87,-10.35,)| Show InChI InChI=1S/C36H44N4O5/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-34(44)33-25-14-23-13-24(16-25)17-26(33)15-23)35(45)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,45)(H,40,44)(H,42,43)/t23?,24?,25?,26?,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062006
(CHEMBL344882 | [(R)-1-((1R,2R)-2-Hydroxy-cyclohept...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCCC[C@H]1O |wU:1.13,29.33,wD:35.41,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(9.7,-1.95,;9.72,-3.31,;9.79,-4.86,;11.17,-5.56,;9.92,-6.47,;10.4,-7.95,;11.95,-7.95,;12.96,-9.1,;14.48,-8.77,;14.95,-7.29,;13.92,-6.17,;12.42,-6.47,;8.32,-2.8,;7.04,-3.66,;7.06,-5.11,;5.65,-2.96,;4.34,-3.83,;4.34,-5.35,;2.95,-5.7,;1.62,-5.21,;.42,-6.5,;1.92,-6.08,;3.33,-6.64,;1.92,-4.48,;2.96,-3.24,;1.62,-3.73,;10.99,-2.63,;10.99,-1.25,;12.25,-3.36,;13.59,-2.61,;14.86,-3.47,;16.34,-3.01,;16.9,-1.58,;16.14,-.24,;14.6,-.01,;13.47,-1.04,;12.04,-.48,)| Show InChI InChI=1S/C30H41N3O4/c1-30(16-22-17-31-24-8-6-5-7-23(22)24,28(35)32-25-9-3-2-4-10-26(25)34)33-29(36)37-27-20-12-18-11-19(14-20)15-21(27)13-18/h5-8,17-21,25-27,31,34H,2-4,9-16H2,1H3,(H,32,35)(H,33,36)/t18?,19?,20?,21?,25-,26-,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM81962
(S-L-365,260)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062001
(CHEMBL344380 | [(R)-1-(2-Hydroxy-cyclohexylcarbamo...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1O |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.96,-3.48,;10.98,-4.85,;11.05,-6.4,;12.43,-7.1,;11.18,-8.02,;11.66,-9.49,;13.21,-9.48,;14.23,-10.63,;15.74,-10.31,;16.21,-8.84,;15.17,-7.7,;13.67,-8.02,;9.59,-4.34,;8.3,-5.19,;8.32,-6.66,;6.9,-4.5,;5.61,-5.35,;5.61,-6.89,;4.2,-7.24,;2.87,-6.75,;1.67,-8.02,;3.17,-7.6,;4.58,-8.18,;3.17,-6.01,;4.22,-4.78,;2.87,-5.26,;12.26,-4.17,;12.24,-2.79,;13.51,-4.9,;14.85,-4.13,;16.18,-4.9,;17.52,-4.15,;17.53,-2.6,;16.18,-1.83,;14.85,-2.59,;13.74,-1.48,)| Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24?,25?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061988
(CHEMBL138657 | [(R)-1-((S)-1-Hydroxymethyl-2-pheny...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-8.98,;-.02,-10.34,;.05,-11.88,;1.42,-12.58,;.17,-13.49,;.65,-14.96,;2.19,-14.95,;3.2,-16.09,;4.71,-15.77,;5.18,-14.3,;4.16,-13.18,;2.67,-13.49,;-1.41,-9.83,;-2.7,-10.68,;-2.67,-12.13,;-4.07,-9.99,;-5.36,-10.84,;-5.36,-12.37,;-6.76,-12.72,;-8.08,-12.23,;-9.28,-13.5,;-7.78,-13.08,;-6.38,-13.65,;-7.79,-11.5,;-6.75,-10.27,;-8.11,-10.75,;1.24,-9.66,;1.24,-8.29,;2.62,-10.35,;3.9,-9.5,;3.81,-7.96,;4.58,-6.63,;5.28,-10.19,;6.56,-9.34,;6.48,-7.96,;7.74,-6.96,;9.13,-7.63,;9.22,-9.17,;7.94,-10.03,)| Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21?,22?,23?,24?,26-,29?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033607
(Adamantane-2-carboxylic acid [1-(1-hydroxymethyl-2...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:20:15:18.17.24,19:18:15:20.21.22,(7.54,-2.58,;8.87,-3.35,;8.89,-1.81,;9.37,-.36,;8.45,.89,;9.37,2.14,;10.82,1.66,;12.16,2.43,;13.49,1.66,;13.49,.12,;12.16,-.65,;10.82,.12,;7.77,-4.44,;6.27,-4.02,;5.9,-2.55,;4.88,-4.65,;3.44,-3.86,;1.92,-4.09,;1.57,-5.56,;2.26,-6.81,;3.73,-6.58,;4.01,-5.18,;5.2,-7.55,;4.53,-6.14,;2.95,-6.4,;10.2,-4.12,;11.52,-3.35,;10.18,-5.66,;11.52,-6.43,;12.84,-5.66,;14.18,-6.4,;11.52,-7.97,;12.84,-8.74,;12.83,-10.28,;14.16,-11.05,;15.5,-10.28,;15.5,-8.74,;14.21,-7.94,)| Show InChI InChI=1S/C32H39N3O3/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,31(38)34-26(19-36)16-20-7-3-2-4-8-20)35-30(37)29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,38)(H,35,37)/t21?,22?,23?,24?,26-,29?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007437
(CHEMBL423329 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(14.92,-9.95,;14.82,-8.44,;14.8,-6.9,;15.89,-5.82,;14.99,-4.57,;15.89,-3.32,;17.37,-3.8,;18.68,-3.03,;20.03,-3.8,;20.03,-5.34,;18.68,-6.11,;17.37,-5.34,;13.49,-9.22,;12.14,-8.45,;12.14,-6.91,;10.82,-9.24,;9.27,-9.22,;8.58,-10.57,;7.09,-11.24,;6.1,-10.08,;4.57,-9.79,;6.2,-9.19,;6.88,-7.87,;8.29,-8.06,;6.81,-8.67,;7.17,-10.25,;16.15,-9.19,;17.49,-8.41,;16.17,-10.73,;17.52,-11.49,;17.53,-13.03,;16.2,-13.81,;18.84,-10.69,;20.18,-11.46,;20.18,-13,;21.53,-13.76,;22.85,-12.97,;22.82,-11.43,;21.5,-10.68,)| Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21-,22+,23-,24+,26-,29?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033603
(3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclo...)Show SMILES C[C@@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:32.35| Show InChI InChI=1S/C33H40N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,16-17,20,22,25,28,34H,6,9-10,15,18-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25+,28?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061993
(CHEMBL337529 | [(R)-1-(3-Aza-bicyclo[3.2.2]non-3-y...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CC2CCC(CC2)C1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.12,-6.79,;1.13,-8.18,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.79,;4.38,-13.93,;5.88,-13.62,;6.37,-12.15,;5.34,-11.01,;3.85,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.98,;-2.93,-7.82,;-4.21,-8.67,;-5.61,-8.08,;-6.97,-8.57,;-6.95,-10.06,;-8.16,-11.33,;-6.65,-10.91,;-6.66,-9.32,;-5.24,-11.49,;-4.23,-10.21,;-5.63,-10.55,;2.42,-7.5,;2.39,-6.12,;3.66,-8.22,;4.95,-7.37,;6.28,-8.17,;7.73,-7.61,;8.2,-6.14,;7.33,-4.85,;5.79,-4.73,;5.79,-6.27,;6.55,-7.61,;4.74,-5.85,)| Show InChI InChI=1S/C31H42N4O3/c1-31(15-25-16-32-27-5-3-2-4-26(25)27,29(36)34-35-17-19-6-7-20(18-35)9-8-19)33-30(37)38-28-23-11-21-10-22(13-23)14-24(28)12-21/h2-5,16,19-24,28,32H,6-15,17-18H2,1H3,(H,33,37)(H,34,36)/t19?,20?,21?,22?,23?,24?,28?,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033585
(CHEMBL153760 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1Cl)C2)C(=O)N[C@H](CO)Cc1ccccc1 |TLB:19:20:24:17.18.23,25:24:26.20.21:17.18.23,THB:19:18:24:26.20.21| Show InChI InChI=1S/C32H38ClN3O4/c1-31(17-24-18-34-27-10-6-5-9-26(24)27,29(38)35-25(19-37)14-20-7-3-2-4-8-20)36-30(39)40-32-15-21-11-22(16-32)13-23(12-21)28(32)33/h2-10,18,21-23,25,28,34,37H,11-17,19H2,1H3,(H,35,38)(H,36,39)/t21-,22+,23-,25-,28?,31+,32?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50033587
((1R,2R)-[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoy...)Show SMILES CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20?,23-,26?,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas. |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM50050649
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand |
Bioorg Med Chem Lett 4: 1679-1684 (1994)
Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM50050649
(CHEMBL444832 | {(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O Show InChI InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7] |
J Med Chem 39: 1664-75 (1996)
Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50281277
((R)-3-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.13,29.33,21.23,23.26,wD:19.27,17.19,1.0,THB:22:21:16.23.24:18,20:21:16:19.24.18,20:19:16:21.22.25,(9.25,-3.09,;9.25,-4.63,;9.25,-6.16,;8.78,-7.64,;9.69,-8.88,;8.78,-10.13,;7.31,-9.64,;5.97,-10.43,;4.65,-9.67,;4.65,-8.13,;5.97,-7.34,;7.31,-8.11,;7.75,-5.02,;6.69,-3.88,;7.18,-2.41,;5.18,-4.19,;4.19,-3.04,;2.69,-3.3,;1.84,-1.95,;2.1,-.36,;1.19,-1.45,;1.98,-2.72,;3.37,-2.45,;4.4,-1.42,;3.6,-.12,;1.61,-4.44,;10.73,-4.23,;11.13,-2.74,;11.82,-5.3,;13.3,-4.91,;13.7,-3.44,;15.19,-3.02,;15.58,-1.54,;16.28,-4.12,;14.4,-6,;15.86,-5.6,;15.86,-7.15,;17.2,-7.92,;18.53,-7.16,;18.53,-5.6,;17.2,-4.86,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21-,22+,23-,24+,26-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061990
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.13,29.33,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50079412
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand |
Bioorg Med Chem Lett 5: 1773-1778 (1995)
Article DOI: 10.1016/0960-894X(95)00313-I
BindingDB Entry DOI: 10.7270/Q2QF8TCH |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50079412
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 4: 1679-1684 (1994)
Article DOI: 10.1016/S0960-894X(00)80360-1
BindingDB Entry DOI: 10.7270/Q22V2GMG |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50052524
((S)-N-((S)-1-{[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-m...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1 | PDB
MMDB
Reactome pathway
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MCE
PC cid
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PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB |
J Med Chem 39: 1664-75 (1996)
Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062008
(CHEMBL342932 | [(R)-1-(Azepan-1-ylcarbamoyl)-2-(1H...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.16,;2.34,-10.7,;3.71,-11.41,;2.47,-12.32,;2.93,-13.79,;4.48,-13.79,;5.51,-14.93,;7.01,-14.61,;7.49,-13.14,;6.46,-12.01,;4.97,-12.32,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.81,;-3.09,-9.67,;-4.49,-9.09,;-5.84,-9.57,;-5.83,-11.05,;-7.04,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.2,;-4.51,-11.55,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;7.4,-9.16,;8.85,-8.6,;9.32,-7.14,;8.46,-5.85,;6.91,-5.72,;5.86,-6.84,)| Show InChI InChI=1S/C29H40N4O3/c1-29(27(34)32-33-10-6-2-3-7-11-33,17-23-18-30-25-9-5-4-8-24(23)25)31-28(35)36-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,8-9,18-22,26,30H,2-3,6-7,10-17H2,1H3,(H,31,35)(H,32,34)/t19?,20?,21?,22?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
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