Found 178 hits with Last Name = 'eden' and Initial = 'jm' 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 |
|---|
Aurora kinase A
(Homo sapiens (Human)) | BDBM12407
(3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...)Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H28ClN7O4/c1-37-23-13-21-22(14-24(23)39-9-3-6-35-7-10-38-11-8-35)31-17-32-25(21)33-20-15-29-27(30-16-20)34-26(36)18-4-2-5-19(28)12-18/h2,4-5,12-17H,3,6-11H2,1H3,(H,31,32,33)(H,29,30,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12408
(3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin...)Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H27ClFN7O4/c1-38-23-12-19-22(13-24(23)40-8-2-5-36-6-9-39-10-7-36)32-16-33-25(19)34-18-14-30-27(31-15-18)35-26(37)17-3-4-21(29)20(28)11-17/h3-4,11-16H,2,5-10H2,1H3,(H,32,33,34)(H,30,31,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
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
AffyNet
| CHEMBL
PC cid
PC sid
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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50281984
((S)-3-[(Z)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES OC(=O)C[C@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wD:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.61,.81,;12.26,-.59,;13.77,-.8,;11.3,-1.8,;11.86,-3.24,;13.38,-3.45,;14.8,-2.8,;14.94,-1.29,;16.33,-.64,;17.59,-1.52,;17.45,-3.08,;16.05,-3.71,;10.91,-4.43,;9.39,-4.22,;8.81,-2.78,;8.44,-5.41,;6.92,-5.2,;5.97,-6.41,;6.39,-7.9,;5.08,-8.76,;3.87,-7.79,;2.36,-8.04,;1.38,-6.85,;1.92,-5.41,;3.43,-5.15,;4.41,-6.34,;9,-6.85,;10.44,-7.39,;10.51,-8.93,;11.84,-6.74,;13.1,-7.65,;13.07,-9.35,;14.56,-9.93,;15.84,-9.25,;15.19,-10.58,;13.61,-10.04,;12.42,-10.56,;13.63,-8.09,;14.54,-6.92,;15.84,-7.69,)| Show InChI InChI=1S/C32H35N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,30,33H,10-17H2,(H,34,38)(H,36,37)/t20?,21?,22?,23?,25-,30?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-A receptor in the rat pancreas. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
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 | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50072961
(CHEMBL3410672)Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C1(CC1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s... |
J Med Chem 58: 2326-49 (2015)
Article DOI: 10.1021/jm501778s
BindingDB Entry DOI: 10.7270/Q2DF6SW8 |
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 | |
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
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
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
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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
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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
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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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12405
(CHEMBL381724 | N-[5-({6-methoxy-7-[3-(morpholin-4-...)Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H29N7O4/c1-36-23-14-21-22(15-24(23)38-11-5-8-34-9-12-37-13-10-34)30-18-31-25(21)32-20-16-28-27(29-17-20)33-26(35)19-6-3-2-4-7-19/h2-4,6-7,14-18H,5,8-13H2,1H3,(H,30,31,32)(H,28,29,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
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
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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) | 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
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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
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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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50281983
((R)-3-[(Z)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wU:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.52,-.26,;12.15,-1.68,;13.66,-1.87,;11.19,-2.89,;11.77,-4.31,;13.29,-4.54,;14.68,-3.89,;14.82,-2.36,;16.22,-1.73,;17.5,-2.61,;17.35,-4.15,;15.94,-4.8,;10.81,-5.52,;9.29,-5.29,;8.73,-3.87,;8.35,-6.5,;6.82,-6.29,;5.87,-7.47,;6.29,-8.96,;5.01,-9.82,;3.79,-8.87,;2.26,-9.12,;1.29,-7.91,;1.85,-6.5,;3.36,-6.24,;4.33,-7.43,;8.91,-7.94,;10.35,-8.47,;10.6,-9.98,;11.75,-7.82,;13,-8.71,;12.98,-10.43,;14.47,-11.01,;15.74,-10.33,;15.09,-11.64,;13.52,-11.1,;12.33,-11.64,;13.54,-9.17,;14.45,-7.98,;15.75,-8.78,)| Show InChI InChI=1S/C32H35N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,30,33H,10-17H2,(H,34,38)(H,36,37)/t20?,21?,22?,23?,25-,30?/m1/s1 | PDB
Reactome pathway
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| 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 measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-A receptor in the rat pancreas. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50212857
(CHEMBL2115543)Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)C(NC(=O)OC1C2CC3CC(C2)CC1C3)=Cc1c[nH]c2ccccc12 |wU:4.4,TLB:26:21:29:25.27.24,26:25:20.21.22:29,THB:24:25:20:23.22.29,24:23:20:25.27.26,19:20:29:25.27.24,(11.52,-.26,;12.15,-1.68,;13.66,-1.87,;11.19,-2.89,;11.77,-4.31,;13.29,-4.54,;14.68,-3.89,;14.82,-2.36,;16.22,-1.73,;17.5,-2.61,;17.35,-4.15,;15.94,-4.8,;10.81,-5.52,;9.29,-5.29,;8.73,-3.87,;8.35,-6.5,;8.91,-7.94,;10.35,-8.47,;10.6,-9.98,;11.75,-7.82,;13,-8.71,;12.98,-10.43,;14.47,-11.01,;15.74,-10.33,;15.09,-11.64,;13.52,-11.1,;12.33,-11.64,;13.54,-9.17,;14.45,-7.98,;15.75,-8.78,;6.82,-6.29,;5.87,-7.47,;6.29,-8.96,;5.01,-9.82,;3.79,-8.87,;2.26,-9.12,;1.29,-7.91,;1.85,-6.5,;3.36,-6.24,;4.33,-7.43,)| Show InChI InChI=1S/C32H35N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,16,18,20-23,25,30,33H,10-15,17H2,(H,34,38)(H,35,39)(H,36,37)/b28-16-/t20?,21?,22?,23?,25-,30?/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
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
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| 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) | 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 | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50072963
(CHEMBL3410548)Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)NCCO)cc1 |r| Show InChI InChI=1S/C20H27N5O5S/c1-14-12-30-10-8-25(14)18-11-17(13-31(2,28)29)22-19(24-18)15-3-5-16(6-4-15)23-20(27)21-7-9-26/h3-6,11,14,26H,7-10,12-13H2,1-2H3,(H2,21,23,27)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s... |
J Med Chem 58: 2326-49 (2015)
Article DOI: 10.1021/jm501778s
BindingDB Entry DOI: 10.7270/Q2DF6SW8 |
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) | 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 | |
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) | 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
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
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 | |
Neuromedin-K receptor
(Homo sapiens (Human)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | 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 [125I]-[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) | 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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| 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 | |
Neuromedin-K receptor
(GUINEA PIG) | 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
UniProtKB/SwissProt
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CHEMBL
MCE
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| n/a | n/a | 12 | 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 [125I]-[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) | BDBM50281984
((S)-3-[(Z)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES OC(=O)C[C@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wD:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.61,.81,;12.26,-.59,;13.77,-.8,;11.3,-1.8,;11.86,-3.24,;13.38,-3.45,;14.8,-2.8,;14.94,-1.29,;16.33,-.64,;17.59,-1.52,;17.45,-3.08,;16.05,-3.71,;10.91,-4.43,;9.39,-4.22,;8.81,-2.78,;8.44,-5.41,;6.92,-5.2,;5.97,-6.41,;6.39,-7.9,;5.08,-8.76,;3.87,-7.79,;2.36,-8.04,;1.38,-6.85,;1.92,-5.41,;3.43,-5.15,;4.41,-6.34,;9,-6.85,;10.44,-7.39,;10.51,-8.93,;11.84,-6.74,;13.1,-7.65,;13.07,-9.35,;14.56,-9.93,;15.84,-9.25,;15.19,-10.58,;13.61,-10.04,;12.42,-10.56,;13.63,-8.09,;14.54,-6.92,;15.84,-7.69,)| Show InChI InChI=1S/C32H35N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,30,33H,10-17H2,(H,34,38)(H,36,37)/t20?,21?,22?,23?,25-,30?/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM50050652
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1 | PDB
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| n/a | n/a | 14 | 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) | BDBM50454908
(CHEMBL2112795)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCC[C@@H]1O |wU:34.40,wD:29.33,1.0,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,(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,;-4.89,-10.78,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-4.51,-11.72,;-5.92,-9.55,;-4.87,-8.32,;-6.22,-8.8,;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,)| 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+/m0/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | 14 | 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)) | BDBM50050652
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | 16 | 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 | |
Neuromedin-K receptor
(Homo sapiens (Human)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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| n/a | n/a | 16 | 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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12413
(CHEMBL204318 | N-[5-({6-methoxy-7-[3-(morpholin-4-...)Show SMILES CCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1 Show InChI InChI=1S/C25H33N7O4/c1-3-4-6-23(33)31-25-26-15-18(16-27-25)30-24-19-13-21(34-2)22(14-20(19)28-17-29-24)36-10-5-7-32-8-11-35-12-9-32/h13-17H,3-12H2,1-2H3,(H,28,29,30)(H,26,27,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | 7.5 | 22 |
AstraZeneca
| Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the... |
Bioorg Med Chem Lett 16: 1320-23 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50281984
((S)-3-[(Z)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES OC(=O)C[C@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wD:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.61,.81,;12.26,-.59,;13.77,-.8,;11.3,-1.8,;11.86,-3.24,;13.38,-3.45,;14.8,-2.8,;14.94,-1.29,;16.33,-.64,;17.59,-1.52,;17.45,-3.08,;16.05,-3.71,;10.91,-4.43,;9.39,-4.22,;8.81,-2.78,;8.44,-5.41,;6.92,-5.2,;5.97,-6.41,;6.39,-7.9,;5.08,-8.76,;3.87,-7.79,;2.36,-8.04,;1.38,-6.85,;1.92,-5.41,;3.43,-5.15,;4.41,-6.34,;9,-6.85,;10.44,-7.39,;10.51,-8.93,;11.84,-6.74,;13.1,-7.65,;13.07,-9.35,;14.56,-9.93,;15.84,-9.25,;15.19,-10.58,;13.61,-10.04,;12.42,-10.56,;13.63,-8.09,;14.54,-6.92,;15.84,-7.69,)| Show InChI InChI=1S/C32H35N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,30,33H,10-17H2,(H,34,38)(H,36,37)/t20?,21?,22?,23?,25-,30?/m0/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-A receptor in the rat pancreas. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50050676
(CHEMBL47822 | {(S)-1-[(R)-1-Methyl-1-(8-methylcarb...)Show SMILES CNC(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H50N4O5/c1-33(2,3)43-32(42)37-28(24-26-18-12-10-13-19-26)30(40)38-34(4,25-27-20-14-11-15-21-27)31(41)36-23-17-9-7-6-8-16-22-29(39)35-5/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,35,39)(H,36,41)(H,37,42)(H,38,40)/t28-,34+/m0/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines |
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) | BDBM50061999
(CHEMBL138952 | [(R)-1-(1-Benzyl-2-phenyl-ethylcarb...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccccc1)Cc1ccccc1 |wU:1.13,wD: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,-9,;-.02,-10.36,;.05,-11.9,;1.43,-12.61,;.17,-13.52,;.65,-14.99,;2.2,-14.98,;3.21,-16.13,;4.72,-15.81,;5.2,-14.34,;4.17,-13.21,;2.67,-13.52,;-1.42,-9.85,;-2.7,-10.7,;-2.68,-12.16,;-4.08,-10.01,;-5.37,-10.87,;-5.38,-12.4,;-6.78,-12.75,;-8.1,-12.26,;-9.3,-13.53,;-7.8,-13.11,;-6.4,-13.68,;-7.81,-11.52,;-6.77,-10.29,;-8.13,-10.77,;1.25,-9.68,;1.24,-8.3,;2.63,-10.38,;3.91,-9.52,;5.29,-10.21,;6.79,-9.8,;7.16,-8.33,;8.63,-7.91,;9.73,-9,;9.35,-10.48,;7.86,-10.89,;3.82,-7.98,;5.1,-7.13,;6.48,-7.81,;7.77,-6.97,;7.67,-5.43,;6.27,-4.74,;5,-5.59,)| Show InChI InChI=1S/C38H43N3O3/c1-38(23-31-24-39-34-15-9-8-14-33(31)34,41-37(43)44-35-29-17-27-16-28(19-29)20-30(35)18-27)36(42)40-32(21-25-10-4-2-5-11-25)22-26-12-6-3-7-13-26/h2-15,24,27-30,32,35,39H,16-23H2,1H3,(H,40,42)(H,41,43)/t27?,28?,29?,30?,35?,38-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 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) | BDBM50062012
(CHEMBL344211 | [(R)-2-(1H-Indol-3-yl)-1-methyl-1-(...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCC1 |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,-13.78,;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,-11.19,;-4.51,-11.55,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;5.97,-6.82,;7.26,-5.98,;8.64,-6.67,;8.74,-8.2,;7.45,-9.06,)| Show InChI InChI=1S/C28H38N4O3/c1-28(26(33)31-32-9-5-2-6-10-32,16-22-17-29-24-8-4-3-7-23(22)24)30-27(34)35-25-20-12-18-11-19(14-20)15-21(25)13-18/h3-4,7-8,17-21,25,29H,2,5-6,9-16H2,1H3,(H,30,34)(H,31,33)/t18?,19?,20?,21?,25?,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 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 | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM50050642
(CHEMBL296014 | {(S)-1-[(R)-1-(8-Hydroxy-octylcarba...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO Show InChI InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t27-,32+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | 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) | BDBM50062015
(CHEMBL139601 | [(R)-1-((1S,2S)-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:1.13,35.41,wD:29.33,1.0,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,(10.61,-3.24,;10.63,-4.59,;10.7,-6.14,;12.08,-6.84,;10.84,-7.75,;11.31,-9.23,;12.86,-9.23,;13.89,-10.38,;15.38,-10.05,;15.85,-8.57,;14.82,-7.45,;13.32,-7.75,;9.25,-4.08,;7.97,-4.95,;7.99,-6.4,;6.56,-4.24,;5.27,-5.11,;5.27,-6.63,;3.87,-6.98,;2.54,-6.49,;1.34,-7.78,;2.84,-7.36,;4.24,-7.92,;2.84,-5.77,;3.89,-4.52,;2.54,-5.02,;11.92,-3.92,;11.9,-2.54,;13.16,-4.64,;14.49,-3.89,;15.78,-4.76,;17.26,-4.29,;17.82,-2.86,;17.05,-1.53,;15.52,-1.3,;14.38,-2.32,;12.95,-1.76,)| 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+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | 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 | |
Cholecystokinin receptor type A
(RAT) | 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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | 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 A receptor in the rat pancreas |
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 | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50384248
(CHEMBL2030451)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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UniChem
Similars
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PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s... |
J Med Chem 58: 2326-49 (2015)
Article DOI: 10.1021/jm501778s
BindingDB Entry DOI: 10.7270/Q2DF6SW8 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50050651
(CHEMBL47586 | {(S)-1-[(R)-1-(8-Dimethylcarbamoyl-o...)Show SMILES CN(C)C(=O)CCCCCCCCNC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C35H52N4O5/c1-34(2,3)44-33(43)37-29(25-27-19-13-11-14-20-27)31(41)38-35(4,26-28-21-15-12-16-22-28)32(42)36-24-18-10-8-7-9-17-23-30(40)39(5)6/h11-16,19-22,29H,7-10,17-18,23-26H2,1-6H3,(H,36,42)(H,37,43)(H,38,41)/t29-,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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines |
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)) | BDBM50050662
(CHEMBL298104 | {(S)-1-[(R)-1-(8-Methanesulfonyl-oc...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCS(C)(=O)=O Show InChI InChI=1S/C33H49N3O6S/c1-32(2,3)42-31(39)35-28(24-26-18-12-10-13-19-26)29(37)36-33(4,25-27-20-14-11-15-21-27)30(38)34-22-16-8-6-7-9-17-23-43(5,40)41/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3,(H,34,38)(H,35,39)(H,36,37)/t28-,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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines |
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
(Rattus norvegicus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | 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 | |
Cholecystokinin receptor type A
(RAT) | 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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-A receptor in the rat pancreas. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50050679
(CHEMBL47035 | {(S)-1-[(R)-1-(7-Methanesulfonylamin...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNS(C)(=O)=O Show InChI InChI=1S/C32H48N4O6S/c1-31(2,3)42-30(39)35-27(23-25-17-11-9-12-18-25)28(37)36-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-6-8-16-22-34-43(5,40)41/h9-14,17-20,27,34H,6-8,15-16,21-24H2,1-5H3,(H,33,38)(H,35,39)(H,36,37)/t27-,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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge University Forvie Site
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines |
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 | |
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