BDBM50281669 Boc-Trp-Phg-Asp-1Nal-NH2::CHEMBL353862

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1

InChI Key: InChIKey=RYNRWNJFDSYFLB-TUCRWICHSA-N

Data: 4 KI

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 = 50281669   

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 (RAT)	BDBM50281669 (Boc-Trp-Phg-Asp-1Nal-NH2 | CHEMBL353862) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1 Show InChI InChI=1S/C41H44N6O8/c1-41(2,3)55-40(54)46-32(21-27-23-43-30-19-10-9-18-29(27)30)38(52)47-35(25-13-5-4-6-14-25)39(53)45-33(22-34(48)49)37(51)44-31(36(42)50)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,31-33,35,43H,20-22H2,1-3H3,(H2,42,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t31-,32-,33-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of [3H]-pCCK-8 binding to Merk CCK-B antagonist L365,260 receptor in rat brain membranes				Bioorg Med Chem Lett 3: 847-850 (1993) Article DOI: 10.1016/S0960-894X(00)80678-2 BindingDB Entry DOI: 10.7270/Q2P26Z28
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50281669 (Boc-Trp-Phg-Asp-1Nal-NH2 | CHEMBL353862) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1 Show InChI InChI=1S/C41H44N6O8/c1-41(2,3)55-40(54)46-32(21-27-23-43-30-19-10-9-18-29(27)30)38(52)47-35(25-13-5-4-6-14-25)39(53)45-33(22-34(48)49)37(51)44-31(36(42)50)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,31-33,35,43H,20-22H2,1-3H3,(H2,42,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t31-,32-,33-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of [3H]-pCCK-8 to Cholecystokinin type B receptor in guinea pig brain				Bioorg Med Chem Lett 3: 847-850 (1993) Article DOI: 10.1016/S0960-894X(00)80678-2 BindingDB Entry DOI: 10.7270/Q2P26Z28
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50281669 (Boc-Trp-Phg-Asp-1Nal-NH2 | CHEMBL353862) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1 Show InChI InChI=1S/C41H44N6O8/c1-41(2,3)55-40(54)46-32(21-27-23-43-30-19-10-9-18-29(27)30)38(52)47-35(25-13-5-4-6-14-25)39(53)45-33(22-34(48)49)37(51)44-31(36(42)50)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,31-33,35,43H,20-22H2,1-3H3,(H2,42,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t31-,32-,33-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor in rat brain membranes				Bioorg Med Chem Lett 3: 847-850 (1993) Article DOI: 10.1016/S0960-894X(00)80678-2 BindingDB Entry DOI: 10.7270/Q2P26Z28
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50281669 (Boc-Trp-Phg-Asp-1Nal-NH2 | CHEMBL353862) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1 Show InChI InChI=1S/C41H44N6O8/c1-41(2,3)55-40(54)46-32(21-27-23-43-30-19-10-9-18-29(27)30)38(52)47-35(25-13-5-4-6-14-25)39(53)45-33(22-34(48)49)37(51)44-31(36(42)50)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,31-33,35,43H,20-22H2,1-3H3,(H2,42,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52)(H,48,49)/t31-,32-,33-,35-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig				Bioorg Med Chem Lett 3: 847-850 (1993) Article DOI: 10.1016/S0960-894X(00)80678-2 BindingDB Entry DOI: 10.7270/Q2P26Z28
					More data for this Ligand-Target Pair