BDBM50517348 CHEMBL4455361

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=CPCGKBFIZZJNOY-GKSJVXRTSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50517348   

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))	BDBM50517348 (CHEMBL4455361) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C83H124N12O22/c1-4-5-30-65(81(110)95(3)69(53-77(105)106)82(111)94(2)68(78(84)107)50-58-27-19-18-20-28-58)93-80(109)67(52-60-54-88-63-31-24-23-29-62(60)63)92-73(100)55-89-79(108)64(90-72(99)51-59-35-37-61(96)38-36-59)32-25-26-41-85-74(101)56-116-48-47-115-45-43-87-75(102)57-117-49-46-114-44-42-86-70(97)40-39-66(83(112)113)91-71(98)33-21-16-14-12-10-8-6-7-9-11-13-15-17-22-34-76(103)104/h18-20,23-24,27-29,31,35-38,54,64-69,88,96H,4-17,21-22,25-26,30,32-34,39-53,55-57H2,1-3H3,(H2,84,107)(H,85,101)(H,86,97)(H,87,102)(H,89,108)(H,90,99)(H,91,98)(H,92,100)(H,93,109)(H,103,104)(H,105,106)(H,112,113)/t64-,65-,66-,67-,68-,69+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.525	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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50517348 (CHEMBL4455361) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C83H124N12O22/c1-4-5-30-65(81(110)95(3)69(53-77(105)106)82(111)94(2)68(78(84)107)50-58-27-19-18-20-28-58)93-80(109)67(52-60-54-88-63-31-24-23-29-62(60)63)92-73(100)55-89-79(108)64(90-72(99)51-59-35-37-61(96)38-36-59)32-25-26-41-85-74(101)56-116-48-47-115-45-43-87-75(102)57-117-49-46-114-44-42-86-70(97)40-39-66(83(112)113)91-71(98)33-21-16-14-12-10-8-6-7-9-11-13-15-17-22-34-76(103)104/h18-20,23-24,27-29,31,35-38,54,64-69,88,96H,4-17,21-22,25-26,30,32-34,39-53,55-57H2,1-3H3,(H2,84,107)(H,85,101)(H,86,97)(H,87,102)(H,89,108)(H,90,99)(H,91,98)(H,92,100)(H,93,109)(H,103,104)(H,105,106)(H,112,113)/t64-,65-,66-,67-,68-,69+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	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))	BDBM50517348 (CHEMBL4455361) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C83H124N12O22/c1-4-5-30-65(81(110)95(3)69(53-77(105)106)82(111)94(2)68(78(84)107)50-58-27-19-18-20-28-58)93-80(109)67(52-60-54-88-63-31-24-23-29-62(60)63)92-73(100)55-89-79(108)64(90-72(99)51-59-35-37-61(96)38-36-59)32-25-26-41-85-74(101)56-116-48-47-115-45-43-87-75(102)57-117-49-46-114-44-42-86-70(97)40-39-66(83(112)113)91-71(98)33-21-16-14-12-10-8-6-7-9-11-13-15-17-22-34-76(103)104/h18-20,23-24,27-29,31,35-38,54,64-69,88,96H,4-17,21-22,25-26,30,32-34,39-53,55-57H2,1-3H3,(H2,84,107)(H,85,101)(H,86,97)(H,87,102)(H,89,108)(H,90,99)(H,91,98)(H,92,100)(H,93,109)(H,103,104)(H,105,106)(H,112,113)/t64-,65-,66-,67-,68-,69+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.158	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))	BDBM50517348 (CHEMBL4455361) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C83H124N12O22/c1-4-5-30-65(81(110)95(3)69(53-77(105)106)82(111)94(2)68(78(84)107)50-58-27-19-18-20-28-58)93-80(109)67(52-60-54-88-63-31-24-23-29-62(60)63)92-73(100)55-89-79(108)64(90-72(99)51-59-35-37-61(96)38-36-59)32-25-26-41-85-74(101)56-116-48-47-115-45-43-87-75(102)57-117-49-46-114-44-42-86-70(97)40-39-66(83(112)113)91-71(98)33-21-16-14-12-10-8-6-7-9-11-13-15-17-22-34-76(103)104/h18-20,23-24,27-29,31,35-38,54,64-69,88,96H,4-17,21-22,25-26,30,32-34,39-53,55-57H2,1-3H3,(H2,84,107)(H,85,101)(H,86,97)(H,87,102)(H,89,108)(H,90,99)(H,91,98)(H,92,100)(H,93,109)(H,103,104)(H,105,106)(H,112,113)/t64-,65-,66-,67-,68-,69+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+3	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