BDBM50018068 Boc-cyclo-(Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH2::CHEMBL273880

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=RJGYFDISIBJKFO-UZLGZYMTSA-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 = 50018068   

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))	BDBM50018068 (Boc-cyclo-(Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH2 ...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C61H83N11O14/c1-6-8-20-42-53(78)65-44(23-15-16-30-63-50(74)29-28-45(72-60(85)86-61(3,4)5)56(81)69-47(57(82)66-42)32-37-24-26-39(73)27-25-37)55(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46(52(62)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64,73H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,77)(H,63,74)(H,65,78)(H,66,82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,75,76)/t42-,43-,44-,45+,46-,47+,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of 0.2 nM [3H]-pCCK-8 from guinea pig brain membranes				J Med Chem 32: 1184-90 (1989) BindingDB Entry DOI: 10.7270/Q2ZG6R7N
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50018068 (Boc-cyclo-(Glu-Tyr-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH2 ...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C61H83N11O14/c1-6-8-20-42-53(78)65-44(23-15-16-30-63-50(74)29-28-45(72-60(85)86-61(3,4)5)56(81)69-47(57(82)66-42)32-37-24-26-39(73)27-25-37)55(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46(52(62)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64,73H,6-9,15-16,20-21,23,28-34H2,1-5H3,(H2,62,77)(H,63,74)(H,65,78)(H,66,82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,75,76)/t42-,43-,44-,45+,46-,47+,48-,49-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of 0.1 nM [3H]-pCCK-8 from guinea pig pancreatic membranes				J Med Chem 32: 1184-90 (1989) BindingDB Entry DOI: 10.7270/Q2ZG6R7N
					More data for this Ligand-Target Pair