BDBM50227954 CHEMBL1160501

SMILES: CCCC[C@@H](NC(=O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)C(CC(O)=O)NC(=O)OC(C)(C)C

InChI Key: InChIKey=QRYOMNSPKSJSKG-OGPDVSBDSA-N

Data: 2 IC50

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 = 50227954   

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))	BDBM50227954 (CHEMBL1160501) Show SMILES CCCC[C@@H](NC(=O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)C(CC(O)=O)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C56H74N10O18S/c1-6-8-18-38(50(74)63-42(28-47(69)70)52(76)61-39(49(57)73)25-32-15-11-10-12-16-32)60-51(75)41(27-34-31-58-37-19-14-13-17-36(34)37)59-45(67)30-46(68)65-44(20-9-7-2)66-54(78)40(26-33-21-23-35(24-22-33)84-85(80,81)82)62-53(77)43(29-48(71)72)64-55(79)83-56(3,4)5/h10-17,19,21-24,31,38-44,58H,6-9,18,20,25-30H2,1-5H3,(H2,57,73)(H,59,67)(H,60,75)(H,61,76)(H,62,77)(H,63,74)(H,64,79)(H,65,68)(H,66,78)(H,69,70)(H,71,72)(H,80,81,82)/t38-,39-,40-,41+,42+,43?,44-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes				J Med Chem 32: 2331-9 (1989) BindingDB Entry DOI: 10.7270/Q2M61NGS
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50227954 (CHEMBL1160501) Show SMILES CCCC[C@@H](NC(=O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)C(CC(O)=O)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C56H74N10O18S/c1-6-8-18-38(50(74)63-42(28-47(69)70)52(76)61-39(49(57)73)25-32-15-11-10-12-16-32)60-51(75)41(27-34-31-58-37-19-14-13-17-36(34)37)59-45(67)30-46(68)65-44(20-9-7-2)66-54(78)40(26-33-21-23-35(24-22-33)84-85(80,81)82)62-53(77)43(29-48(71)72)64-55(79)83-56(3,4)5/h10-17,19,21-24,31,38-44,58H,6-9,18,20,25-30H2,1-5H3,(H2,57,73)(H,59,67)(H,60,75)(H,61,76)(H,62,77)(H,63,74)(H,64,79)(H,65,68)(H,66,78)(H,69,70)(H,71,72)(H,80,81,82)/t38-,39-,40-,41+,42+,43?,44-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated rat pancreatic acini				J Med Chem 32: 2331-9 (1989) BindingDB Entry DOI: 10.7270/Q2M61NGS
					More data for this Ligand-Target Pair