Found 5 hits for monomerid = 50045805 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50045805
(CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)| Show InChI InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex |
J Med Chem 36: 2868-77 (1993)
BindingDB Entry DOI: 10.7270/Q2MG7NK5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(MOUSE) | BDBM50045805
(CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)| Show InChI InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for binding affinity towards cholecystokinin type B receptor in mouse brain by displacement of [3H]-pBC264 radioligand (icv) |
J Med Chem 36: 2868-77 (1993)
BindingDB Entry DOI: 10.7270/Q2MG7NK5 |
More data for this
Ligand-Target Pair | |
CCKBR
(RAT) | BDBM50045805
(CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)| Show InChI InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33? | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for binding affinity towards cholecystokinin type B receptor in rat pancreas by displacement of [3H]-pCCK-8 radioligand |
J Med Chem 36: 2868-77 (1993)
BindingDB Entry DOI: 10.7270/Q2MG7NK5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(RAT) | BDBM50045805
(CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)| Show InChI InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for binding affinity towards cholecystokinin type A receptor in rat pancreas by displacement of [3H]-pCCK-8 radioligand |
J Med Chem 36: 2868-77 (1993)
BindingDB Entry DOI: 10.7270/Q2MG7NK5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin A receptor
(Cavia porcellus) | BDBM50045805
(CHEMBL318852 | N-Carboxymethyl-N-[2-(2,4-dichloro-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(C(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(O)=O |wU:20.27,18.19,22.23,wD:16.28,TLB:14:15:21:18.23.19,THB:17:16:21:18.23.19,17:18:21:15.16.24,(15.87,-6.38,;14.54,-7.15,;13.21,-7.93,;13.23,-9.47,;14.14,-10.71,;13.24,-11.97,;11.77,-11.5,;10.41,-12.27,;9.08,-11.5,;9.08,-9.96,;10.41,-9.18,;11.76,-9.95,;13.04,-6.75,;11.95,-7.82,;12.65,-5.26,;11.16,-4.86,;9.83,-4.06,;9.27,-2.64,;7.64,-2.8,;6.52,-3.85,;7.08,-5.26,;8.35,-5.9,;9.41,-4.86,;8.85,-3.57,;8.69,-5.16,;15.87,-7.92,;15.87,-9.46,;17.41,-7.92,;18.18,-6.58,;19.72,-6.58,;20.49,-5.23,;19.72,-3.92,;20.47,-2.59,;22.03,-2.57,;22.78,-1.24,;22.8,-3.92,;22.03,-5.25,;22.8,-6.58,;18.18,-9.25,;19.72,-9.25,;20.49,-10.58,;20.49,-7.91,)| Show InChI InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33? | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes |
J Med Chem 36: 2868-77 (1993)
BindingDB Entry DOI: 10.7270/Q2MG7NK5 |
More data for this
Ligand-Target Pair | |
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