BDBM50061269 (2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(naphthalen-1-yloxy)-pyrrolidine-2-carboxylic acid::CHEMBL126957

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1cccc2ccccc12

InChI Key: InChIKey=PPDAHBRJSUSBOF-FRHDOYHQSA-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 = 50061269   

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))	BDBM50061269 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1cccc2ccccc12 |TLB:24:23:25:19.18.20,15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,15:16:25:19.18.20| Show InChI InChI=1S/C37H40N4O6/c1-37(19-25-20-38-31-11-5-4-9-29(25)31,39-36(45)47-41-26-14-22-13-23(16-26)17-27(41)15-22)35(44)40-21-28(18-32(40)34(42)43)46-33-12-6-8-24-7-2-3-10-30(24)33/h2-12,20,22-23,26-28,32,38H,13-19,21H2,1H3,(H,39,45)(H,42,43)/t22-,23+,26-,27+,28-,32-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	775	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.				J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z
					More data for this Ligand-Target Pair