BDBM50281666 Boc-Trp-Phg-Asp-1Nal-N(CH3)2::CHEMBL436722

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

InChI Key: InChIKey=NCXFVQVUXTYYEG-SZHYKVQFSA-N

Data: 2 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 2 hits for monomerid = 50281666   

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))	BDBM50281666 (Boc-Trp-Phg-Asp-1Nal-N(CH3)2 | CHEMBL436722) Show SMILES CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1 Show InChI InChI=1S/C43H48N6O8/c1-43(2,3)57-42(56)47-33(23-29-25-44-32-21-12-11-20-31(29)32)39(53)48-37(27-15-7-6-8-16-27)40(54)45-34(24-36(50)51)38(52)46-35(41(55)49(4)5)22-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,44H,22-24H2,1-5H3,(H,45,54)(H,46,52)(H,47,56)(H,48,53)(H,50,51)/t33-,34-,35-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	39	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
Cholecystokinin A receptor (Cavia porcellus)	BDBM50281666 (Boc-Trp-Phg-Asp-1Nal-N(CH3)2 | CHEMBL436722) Show SMILES CN(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1 Show InChI InChI=1S/C43H48N6O8/c1-43(2,3)57-42(56)47-33(23-29-25-44-32-21-12-11-20-31(29)32)39(53)48-37(27-15-7-6-8-16-27)40(54)45-34(24-36(50)51)38(52)46-35(41(55)49(4)5)22-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,44H,22-24H2,1-5H3,(H,45,54)(H,46,52)(H,47,56)(H,48,53)(H,50,51)/t33-,34-,35-,37-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+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