Found 4 hits for monomerid = 50517379 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)) | BDBM50517379
(CHEMBL4453982)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C87H129N13O27S/c1-4-5-28-64(82(114)100-71(51-79(110)111)86(118)97-66(80(88)112)47-58-25-19-18-20-26-58)96-84(116)69(49-61-52-91-63-29-24-23-27-62(61)63)94-74(103)53-92-81(113)67(46-57(2)3)98-83(115)68(48-59-32-34-60(35-33-59)56-128(121,122)123)99-85(117)70(50-78(108)109)95-76(105)55-127-45-43-125-41-39-90-75(104)54-126-44-42-124-40-38-89-72(101)37-36-65(87(119)120)93-73(102)30-21-16-14-12-10-8-6-7-9-11-13-15-17-22-31-77(106)107/h18-20,23-27,29,32-35,52,57,64-71,91H,4-17,21-22,28,30-31,36-51,53-56H2,1-3H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,116)(H,97,118)(H,98,115)(H,99,117)(H,100,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.447 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558 |
More data for this Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517379
(CHEMBL4453982)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C87H129N13O27S/c1-4-5-28-64(82(114)100-71(51-79(110)111)86(118)97-66(80(88)112)47-58-25-19-18-20-26-58)96-84(116)69(49-61-52-91-63-29-24-23-27-62(61)63)94-74(103)53-92-81(113)67(46-57(2)3)98-83(115)68(48-59-32-34-60(35-33-59)56-128(121,122)123)99-85(117)70(50-78(108)109)95-76(105)55-127-45-43-125-41-39-90-75(104)54-126-44-42-124-40-38-89-72(101)37-36-65(87(119)120)93-73(102)30-21-16-14-12-10-8-6-7-9-11-13-15-17-22-31-77(106)107/h18-20,23-27,29,32-35,52,57,64-71,91H,4-17,21-22,28,30-31,36-51,53-56H2,1-3H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,116)(H,97,118)(H,98,115)(H,99,117)(H,100,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0676 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Agonist activity at human CCK1R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558 |
More data for this Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517379
(CHEMBL4453982)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C87H129N13O27S/c1-4-5-28-64(82(114)100-71(51-79(110)111)86(118)97-66(80(88)112)47-58-25-19-18-20-26-58)96-84(116)69(49-61-52-91-63-29-24-23-27-62(61)63)94-74(103)53-92-81(113)67(46-57(2)3)98-83(115)68(48-59-32-34-60(35-33-59)56-128(121,122)123)99-85(117)70(50-78(108)109)95-76(105)55-127-45-43-125-41-39-90-75(104)54-126-44-42-124-40-38-89-72(101)37-36-65(87(119)120)93-73(102)30-21-16-14-12-10-8-6-7-9-11-13-15-17-22-31-77(106)107/h18-20,23-27,29,32-35,52,57,64-71,91H,4-17,21-22,28,30-31,36-51,53-56H2,1-3H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,116)(H,97,118)(H,98,115)(H,99,117)(H,100,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.891 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [125I]-CCK-8 from human CCK2R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558 |
More data for this Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517379
(CHEMBL4453982)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C87H129N13O27S/c1-4-5-28-64(82(114)100-71(51-79(110)111)86(118)97-66(80(88)112)47-58-25-19-18-20-26-58)96-84(116)69(49-61-52-91-63-29-24-23-27-62(61)63)94-74(103)53-92-81(113)67(46-57(2)3)98-83(115)68(48-59-32-34-60(35-33-59)56-128(121,122)123)99-85(117)70(50-78(108)109)95-76(105)55-127-45-43-125-41-39-90-75(104)54-126-44-42-124-40-38-89-72(101)37-36-65(87(119)120)93-73(102)30-21-16-14-12-10-8-6-7-9-11-13-15-17-22-31-77(106)107/h18-20,23-27,29,32-35,52,57,64-71,91H,4-17,21-22,28,30-31,36-51,53-56H2,1-3H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,116)(H,97,118)(H,98,115)(H,99,117)(H,100,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.245 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558 |
More data for this Ligand-Target Pair | |