BDBM50230684 CHEMBL353157::PD-135118

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1

InChI Key: InChIKey=HAQJDPAHYIINDW-JWZQQOIUSA-N

Data: 1 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 1 hit for monomerid = 50230684   

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 (MOUSE)	BDBM50230684 (CHEMBL353157 | PD-135118) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:29.34,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,15:16:21.23.22:19.18.25,20:21:16:19.18.25,20:19:16:21.23.22,(3.3,-9.92,;4.62,-10.71,;5.96,-9.95,;5.97,-8.41,;5.07,-7.17,;5.98,-5.93,;7.45,-6.4,;8.77,-5.63,;10.11,-6.4,;10.11,-7.94,;8.77,-8.71,;7.44,-7.94,;3.27,-11.46,;1.94,-10.69,;1.97,-9.15,;.61,-11.44,;-.93,-11.44,;-.74,-13,;-1.6,-14.43,;-3.12,-14.03,;-4.59,-14.66,;-3.54,-13.21,;-2.12,-13.53,;-3.73,-11.69,;-2.42,-11.04,;-3.33,-12.42,;5.95,-11.48,;5.93,-13.02,;7.28,-10.71,;8.61,-11.48,;8.61,-13.02,;7.28,-13.79,;7.26,-15.33,;5.93,-16.1,;8.61,-16.1,;8.59,-17.64,;9.94,-18.41,;9.92,-19.95,;11.27,-17.64,;9.95,-10.71,;11.28,-11.48,;11.28,-13.02,;12.61,-13.79,;13.94,-13.02,;13.94,-11.46,;12.61,-10.71,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23?,24?,25?,26?,28-,33?,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Neuroscience Research Centre Curated by ChEMBL					Assay Description Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse				J Med Chem 35: 1572-7 (1992) BindingDB Entry DOI: 10.7270/Q26H4KM8
					More data for this Ligand-Target Pair