Found 190 hits with Last Name = 'crawford' and Initial = 'rt' 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 |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069868
((2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin...)Show InChI InChI=1S/C20H26N2O2/c1-23-17-10-11-19(24-2)16(13-17)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285009
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyc...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1 Show InChI InChI=1S/C31H40N4O5/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-30(40)32-22-12-8-11-21(16-22)29(38)39)28(37)35(26(23)15-19)18-27(36)34-31(2,3)4/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,36)(H,38,39)(H2,32,33,40)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285009
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyc...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1 Show InChI InChI=1S/C31H40N4O5/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-30(40)32-22-12-8-11-21(16-22)29(38)39)28(37)35(26(23)15-19)18-27(36)34-31(2,3)4/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,36)(H,38,39)(H2,32,33,40)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-A (CCK-A) receptor in guinea pig pancreas |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069863
(CHEMBL329007 | N-{4-Methoxy-3-[((2S,3S)-2-phenyl-p...)Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)S(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S/c1-24(28(3,25)26)18-11-12-20(27-2)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069864
((5-Chloro-2-methoxy-benzyl)-((2S,3S)-2-phenyl-pipe...)Show InChI InChI=1S/C19H23ClN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069870
((2-Ethoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-ph...)Show SMILES CCOc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C21H25F3N2O2/c1-2-27-19-11-10-17(28-21(22,23)24)13-16(19)14-26-18-9-6-12-25-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20,25-26H,2,6,9,12,14H2,1H3/t18-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069865
((2-Isopropoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-...)Show SMILES CC(C)Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C22H27F3N2O2/c1-15(2)28-20-11-10-18(29-22(23,24)25)13-17(20)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50067935
((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...)Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285019
(CHEMBL294161 | N-tert-Butyl-2-((3R,5R)-5-cyclohexy...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1 Show InChI InChI=1S/C31H40N8O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(41)39(26(23)15-19)18-27(40)34-31(2,3)4)33-30(42)32-22-12-8-11-21(16-22)28-35-37-38-36-28/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,40)(H2,32,33,42)(H,35,36,37,38)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285011
(CHEMBL294252 | N-tert-Butyl-2-{(3R,5R)-5-cyclohexy...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(C)(=O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1 Show InChI InChI=1S/C32H43N5O6S/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(30(40)37(27(24)16-20)19-28(38)35-32(2,3)4)34-31(41)33-23-13-9-12-22(17-23)29(39)36-44(5,42)43/h9,12-17,21,25-26H,6-8,10-11,18-19H2,1-5H3,(H,35,38)(H,36,39)(H2,33,34,41)/t25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069862
((2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piper...)Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-17-11-5-4-9-15(17)13-23-16-10-6-12-22-18(16)14-7-2-1-3-8-14/h1-5,7-9,11,16,18-19,22-23H,6,10,12-13H2/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069867
((2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-...)Show InChI InChI=1S/C21H28N2O/c1-16(2)24-20-13-7-6-11-18(20)15-23-19-12-8-14-22-21(19)17-9-4-3-5-10-17/h3-7,9-11,13,16,19,21-23H,8,12,14-15H2,1-2H3/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037849
(CHEMBL291458 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030232
((S)-((S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1ccccc1CNC1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:17.20,(7.71,-5.53,;6.37,-4.76,;6.37,-3.22,;7.71,-2.45,;7.71,-.89,;6.37,-.12,;5.04,-.91,;5.04,-2.45,;3.69,-3.22,;3.69,-4.76,;2.36,-5.53,;1.03,-4.74,;-.3,-5.51,;-.3,-7.05,;1.07,-7.8,;.31,-6.47,;1.8,-6.07,;2.36,-7.07,;3.71,-7.82,;3.69,-9.38,;2.36,-10.13,;2.36,-11.67,;3.69,-12.44,;5.04,-11.67,;5.02,-10.13,;5.19,-7.43,;6.28,-8.52,;7.77,-8.1,;8.15,-6.63,;7.05,-5.54,;5.58,-5.95,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27?,28-/m0/s1 | PDB
MMDB
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CHEMBL
PC cid
PC sid
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| PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand |
J Med Chem 37: 2831-40 (1994)
BindingDB Entry DOI: 10.7270/Q2CZ365J |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000041
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1 | PDB
MMDB
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PC cid
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| PDB
PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000040
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for its Tachykinin receptor 1 affinity by the displacement of [125I]-Bolton-Hunter substance p from human IM-9 cells |
Bioorg Med Chem Lett 4: 1153-1156 (1994)
Article DOI: 10.1016/S0960-894X(01)80246-8
BindingDB Entry DOI: 10.7270/Q2VQ32N3 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069860
((5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phen...)Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)C Show InChI InChI=1S/C21H29N3O/c1-24(2)18-11-12-20(25-3)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037869
(CHEMBL334100 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C1CCCCC1 Show InChI InChI=1S/C30H39ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h8,11-16,20,24-25H,5-7,9-10,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285014
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyc...)Show SMILES COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 Show InChI InChI=1S/C32H42N4O5/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(29(38)36(27(24)16-20)19-28(37)35-32(2,3)4)34-31(40)33-23-13-9-12-22(17-23)30(39)41-5/h9,12-17,21,25-26H,6-8,10-11,18-19H2,1-5H3,(H,35,37)(H2,33,34,40)/t25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285010
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-8-met...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)Nc3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C32H35N9O4/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(44)41(26(23)15-19)18-27(42)36-32(2,3)4)34-31(45)33-22-12-8-11-21(16-22)28(43)35-30-37-39-40-38-30/h5-16,24-25H,17-18H2,1-4H3,(H,36,42)(H2,33,34,45)(H2,35,37,38,39,40,43)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50069869
(((2S,3S)-2-Phenyl-piperidin-3-yl)-(2-trifluorometh...)Show SMILES FC(F)(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)25-17-11-5-4-9-15(17)13-24-16-10-6-12-23-18(16)14-7-2-1-3-8-14/h1-5,7-9,11,16,18,23-24H,6,10,12-13H2/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells |
Bioorg Med Chem Lett 8: 281-4 (1999)
BindingDB Entry DOI: 10.7270/Q2Z60PK8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285012
(CHEMBL301418 | N-tert-Butyl-2-((3R,5R)-8-methyl-2-...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C31H34N8O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(41)39(26(23)15-19)18-27(40)34-31(2,3)4)33-30(42)32-22-12-8-11-21(16-22)28-35-37-38-36-28/h5-16,24-25H,17-18H2,1-4H3,(H,34,40)(H2,32,33,42)(H,35,36,37,38)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285022
(CHEMBL57642 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-meth...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(C)(=O)=O)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C32H37N5O6S/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(30(40)37(27(24)16-20)19-28(38)35-32(2,3)4)34-31(41)33-23-13-9-12-22(17-23)29(39)36-44(5,42)43/h6-17,25-26H,18-19H2,1-5H3,(H,35,38)(H,36,39)(H2,33,34,41)/t25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285018
(CHEMBL59234 | N-tert-Butyl-2-((3R,5S)-5-cyclohexyl...)Show SMILES Cc1ccc2[C@@H](CC3CCCCC3)C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1 Show InChI InChI=1S/C32H42N8O3/c1-20-13-14-25-23(16-21-9-6-5-7-10-21)18-26(30(42)40(27(25)15-20)19-28(41)35-32(2,3)4)34-31(43)33-24-12-8-11-22(17-24)29-36-38-39-37-29/h8,11-15,17,21,23,26H,5-7,9-10,16,18-19H2,1-4H3,(H,35,41)(H2,33,34,43)(H,36,37,38,39)/t23-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030236
((S)-((S)-8-Benzhydryl-7-aza-tricyclo[4.3.1.0*3,7*]...)Show SMILES COc1ccccc1CNC1C2CC3CCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1 |TLB:14:13:19.10:16.17| Show InChI InChI=1S/C30H34N2O/c1-33-27-15-9-8-14-23(27)20-31-29-24-18-25-16-17-26(19-24)32(25)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-26,28-31H,16-20H2,1H3/t24?,25?,26?,29?,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand |
J Med Chem 37: 2831-40 (1994)
BindingDB Entry DOI: 10.7270/Q2CZ365J |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285020
(CHEMBL292856 | N-tert-Butyl-2-((3R,5R)-5-isopropyl...)Show SMILES CC(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(c2)-c2nnn[nH]2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12 Show InChI InChI=1S/C28H36N8O3/c1-16(2)21-14-22(30-27(39)29-19-9-7-8-18(13-19)25-32-34-35-33-25)26(38)36(15-24(37)31-28(4,5)6)23-12-17(3)10-11-20(21)23/h7-13,16,21-22H,14-15H2,1-6H3,(H,31,37)(H2,29,30,39)(H,32,33,34,35)/t21-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285005
(CHEMBL293490 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-eth...)Show SMILES CCS(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 Show InChI InChI=1S/C33H39N5O6S/c1-6-45(43,44)37-30(40)23-13-10-14-24(18-23)34-32(42)35-27-19-26(22-11-8-7-9-12-22)25-16-15-21(2)17-28(25)38(31(27)41)20-29(39)36-33(3,4)5/h7-18,26-27H,6,19-20H2,1-5H3,(H,36,39)(H,37,40)(H2,34,35,42)/t26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037849
(CHEMBL291458 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283831
(CHEMBL319986 | N-tert-Butyl-2-[(3R,5S,7R)-7-(3-flu...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2cccc(F)c2)c2ccccc2)c1 Show InChI InChI=1S/C32H37FN4O3/c1-21-10-8-15-26(16-21)34-31(40)35-27-18-24(22-11-6-5-7-12-22)19-28(23-13-9-14-25(33)17-23)37(30(27)39)20-29(38)36-32(2,3)4/h5-17,24,27-28H,18-20H2,1-4H3,(H,36,38)(H2,34,35,40)/t24-,27+,28+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037849
(CHEMBL291458 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C30H33ClN4O3/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(38)32-22-12-8-11-21(31)16-22)28(37)35(26(23)15-19)18-27(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037866
(CHEMBL125253 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)Show SMILES CC(C)(C)NC(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)C1CCCCC1 Show InChI InChI=1S/C29H37ClN4O3/c1-29(2,3)33-26(35)18-34-25-15-8-7-14-22(25)23(19-10-5-4-6-11-19)17-24(27(34)36)32-28(37)31-21-13-9-12-20(30)16-21/h7-9,12-16,19,23-24H,4-6,10-11,17-18H2,1-3H3,(H,33,35)(H2,31,32,37)/t23-,24-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 1.07 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283843
(CHEMBL320821 | N-(2-Chloro-phenyl)-2-[(3R,5S,7R)-2...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccccc3Cl)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C35H35ClN4O3/c1-23-11-10-15-27(19-23)37-35(43)39-31-20-26(28-16-7-6-12-24(28)2)21-32(25-13-4-3-5-14-25)40(34(31)42)22-33(41)38-30-18-9-8-17-29(30)36/h3-19,26,31-32H,20-22H2,1-2H3,(H,38,41)(H2,37,39,43)/t26-,31+,32+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283832
(CHEMBL319504 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-7-...)Show SMILES Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H40N4O3/c1-22-14-16-24(17-15-22)26-19-28(35-32(40)34-27-13-9-10-23(2)18-27)31(39)37(21-30(38)36-33(3,4)5)29(20-26)25-11-7-6-8-12-25/h6-18,26,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t26-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283845
(2-[(3R,5S,7R)-2-Oxo-7-phenyl-5-o-tolyl-3-(3-m-toly...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)Nc3ccccc3C)C2=O)c2ccccc2)c2ccccc2C)c1 Show InChI InChI=1S/C36H38N4O3/c1-24-12-11-17-29(20-24)37-36(43)39-32-21-28(30-18-9-7-13-25(30)2)22-33(27-15-5-4-6-16-27)40(35(32)42)23-34(41)38-31-19-10-8-14-26(31)3/h4-20,28,32-33H,21-23H2,1-3H3,(H,38,41)(H2,37,39,43)/t28-,32+,33+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283842
(CHEMBL316619 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-7-...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2cccc(C)c2)c1 Show InChI InChI=1S/C33H40N4O3/c1-22-11-9-15-25(17-22)26-19-28(35-32(40)34-27-16-10-12-23(2)18-27)31(39)37(21-30(38)36-33(3,4)5)29(20-26)24-13-7-6-8-14-24/h6-18,26,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t26-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50284270
((2S,3S)-2-Benzhydryl-1-carbamoylmethyl-3-(2-methox...)Show SMILES COc1ccccc1CN[C@H]1C2CC[N+](CC(N)=O)(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,21.24,(17.13,-21.73,;15.66,-22.14,;14.57,-21.05,;15.9,-20.28,;15.92,-18.74,;14.57,-17.97,;13.24,-18.74,;13.24,-20.28,;11.91,-21.03,;11.91,-22.57,;10.55,-23.34,;9.27,-22.57,;7.92,-23.34,;7.92,-24.88,;9.22,-25.65,;8.85,-27.14,;7.36,-27.54,;6.96,-29.03,;6.26,-26.44,;9.99,-24.3,;8.5,-23.9,;10.55,-24.88,;11.91,-25.65,;11.88,-27.19,;10.55,-27.96,;10.55,-29.5,;11.88,-30.27,;13.24,-29.5,;13.21,-27.96,;13.24,-24.88,;14.57,-25.65,;15.9,-24.9,;15.9,-23.36,;14.57,-22.57,;13.24,-23.36,)| Show InChI InChI=1S/C30H35N3O2/c1-35-26-15-9-8-14-25(26)20-32-29-24-16-18-33(19-17-24,21-27(31)34)30(29)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,28-30,32H,16-21H2,1H3,(H-,31,34)/p+1/t24?,29-,30-,33?/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for its Tachykinin receptor 1 affinity by the displacement of [125I]-Bolton-Hunter substance p from human IM-9 cells |
Bioorg Med Chem Lett 4: 1153-1156 (1994)
Article DOI: 10.1016/S0960-894X(01)80246-8
BindingDB Entry DOI: 10.7270/Q2VQ32N3 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037871
(2-{(3R,5S)-5-Benzyl-3-[3-(3-chloro-phenyl)-ureido]...)Show SMILES Cc1ccc2[C@@H](Cc3ccccc3)C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1 Show InChI InChI=1S/C31H35ClN4O3/c1-20-13-14-25-22(16-21-9-6-5-7-10-21)17-26(34-30(39)33-24-12-8-11-23(32)18-24)29(38)36(27(25)15-20)19-28(37)35-31(2,3)4/h5-15,18,22,26H,16-17,19H2,1-4H3,(H,35,37)(H2,33,34,39)/t22-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285021
(3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-8-met...)Show SMILES COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 Show InChI InChI=1S/C32H36N4O5/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(29(38)36(27(24)16-20)19-28(37)35-32(2,3)4)34-31(40)33-23-13-9-12-22(17-23)30(39)41-5/h6-17,25-26H,18-19H2,1-5H3,(H,35,37)(H2,33,34,40)/t25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037867
(CHEMBL126865 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)Show SMILES CN(C(=O)CN1c2ccccc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1)C(C)(C)C Show InChI InChI=1S/C30H33ClN4O3/c1-30(2,3)34(4)27(36)19-35-26-16-9-8-15-23(26)24(20-11-6-5-7-12-20)18-25(28(35)37)33-29(38)32-22-14-10-13-21(31)17-22/h5-17,24-25H,18-19H2,1-4H3,(H2,32,33,38)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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Similars
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283838
(CHEMBL316504 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-5-...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2cccc(C)c2)c2ccccc2)c1 Show InChI InChI=1S/C33H40N4O3/c1-22-11-9-15-25(17-22)29-20-26(24-13-7-6-8-14-24)19-28(31(39)37(29)21-30(38)36-33(3,4)5)35-32(40)34-27-16-10-12-23(2)18-27/h6-18,26,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t26-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285013
(2-((3R,5S)-5-Benzyl-8-methyl-2-oxo-3-{3-[3-(1H-tet...)Show SMILES Cc1ccc2[C@@H](Cc3ccccc3)C[C@@H](NC(=O)Nc3cccc(c3)-c3nnn[nH]3)C(=O)N(CC(=O)NC(C)(C)C)c2c1 Show InChI InChI=1S/C32H36N8O3/c1-20-13-14-25-23(16-21-9-6-5-7-10-21)18-26(30(42)40(27(25)15-20)19-28(41)35-32(2,3)4)34-31(43)33-24-12-8-11-22(17-24)29-36-38-39-37-29/h5-15,17,23,26H,16,18-19H2,1-4H3,(H,35,41)(H2,33,34,43)(H,36,37,38,39)/t23-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| 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
Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex |
Bioorg Med Chem Lett 5: 1933-1936 (1995)
Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283826
(CHEMBL327496 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(3-...)Show SMILES Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc(F)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H37FN4O3/c1-21-11-8-9-16-26(21)23-17-27(35-31(40)34-25-15-10-14-24(33)19-25)30(39)37(20-29(38)36-32(2,3)4)28(18-23)22-12-6-5-7-13-22/h5-16,19,23,27-28H,17-18,20H2,1-4H3,(H,36,38)(H2,34,35,40)/t23-,27+,28+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030238
((S)-((S)-11-Benzhydryl-1-aza-tricyclo[5.4.0.0*3,9*...)Show SMILES COc1ccccc1CNC1C2CC3CCCC2CN3[C@H]1C(c1ccccc1)c1ccccc1 |TLB:14:13:20.10:18.17| Show InChI InChI=1S/C31H36N2O/c1-34-28-18-9-8-15-24(28)20-32-30-27-19-26-17-10-16-25(27)21-33(26)31(30)29(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-15,18,25-27,29-32H,10,16-17,19-21H2,1H3/t25?,26?,27?,30?,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand |
J Med Chem 37: 2831-40 (1994)
BindingDB Entry DOI: 10.7270/Q2CZ365J |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037847
(CHEMBL124004 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)Show SMILES CCc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C31H35ClN4O3/c1-5-20-14-15-24-25(21-10-7-6-8-11-21)18-26(34-30(39)33-23-13-9-12-22(32)17-23)29(38)36(27(24)16-20)19-28(37)35-31(2,3)4/h6-17,25-26H,5,18-19H2,1-4H3,(H,35,37)(H2,33,34,39)/t25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037864
(CHEMBL124340 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...)Show SMILES Cc1cccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)NC(C)(C)C)c12)c1ccccc1 Show InChI InChI=1S/C30H33ClN4O3/c1-19-10-8-15-23-24(20-11-6-5-7-12-20)17-25(33-29(38)32-22-14-9-13-21(31)16-22)28(37)35(27(19)23)18-26(36)34-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H,34,36)(H2,32,33,38)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037853
(CHEMBL334305 | {(3R,5R)-3-[3-(3-Chloro-phenyl)-ure...)Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)OC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C30H32ClN3O4/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(37)32-22-12-8-11-21(31)16-22)28(36)34(26(23)15-19)18-27(35)38-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H2,32,33,37)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Cavia porcellus) | BDBM50283827
(CHEMBL329286 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(4-...)Show SMILES COc1ccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)cc1 Show InChI InChI=1S/C33H40N4O4/c1-22-11-9-10-14-27(22)24-19-28(35-32(40)34-25-15-17-26(41-5)18-16-25)31(39)37(21-30(38)36-33(2,3)4)29(20-24)23-12-7-6-8-13-23/h6-18,24,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t24-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig. |
Bioorg Med Chem Lett 4: 2877-2882 (1994)
Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030230
((S)-((S)-9-Benzhydryl-1-aza-tricyclo[4.3.1.0*3,7*]...)Show SMILES COc1ccccc1CNC1C2C3CCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1 |wD:19.23,TLB:13:12:19.10:15.16,(7.71,-5.53,;6.37,-4.76,;6.37,-3.22,;7.71,-2.45,;7.71,-.89,;6.37,-.12,;5.04,-.91,;5.04,-2.45,;3.69,-3.22,;3.69,-4.76,;2.36,-5.53,;1.03,-4.74,;1.8,-6.07,;-1.63,-6.28,;-1.63,-4.74,;-.3,-5.51,;-.3,-7.05,;1.03,-7.82,;.37,-6.77,;2.36,-7.07,;3.71,-7.82,;3.69,-9.38,;5.02,-10.13,;5.04,-11.67,;3.69,-12.44,;2.36,-11.67,;2.36,-10.13,;5.19,-7.43,;5.58,-5.95,;7.05,-5.54,;8.15,-6.63,;7.77,-8.1,;6.28,-8.52,)| Show InChI InChI=1S/C30H34N2O/c1-33-26-15-9-8-14-23(26)18-31-29-27-24-16-17-25(27)20-32(19-24)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-25,27-31H,16-20H2,1H3/t24?,25?,27?,29?,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand |
J Med Chem 37: 2831-40 (1994)
BindingDB Entry DOI: 10.7270/Q2CZ365J |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037870
(CHEMBL333718 | [(3R,5R)-2-Oxo-5-phenyl-3-(3-m-toly...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 Show InChI InChI=1S/C30H33N3O4/c1-20-11-10-14-22(17-20)31-29(36)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)33(28(25)35)19-27(34)37-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H2,31,32,36)/t24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand |
J Med Chem 37: 3789-811 (1994)
BindingDB Entry DOI: 10.7270/Q2KK99TN |
More data for this
Ligand-Target Pair | |
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