BDBM50061282 (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-(3-chloro-benzyloxy)-pyrrolidine-2-carboxylic acid::CHEMBL434631

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)OCc1cccc(Cl)c1

InChI Key: InChIKey=YYRXXDQPSMZLGD-CILWNPITSA-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 = 50061282   

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))	BDBM50061282 ((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)OCc1cccc(Cl)c1 |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/C34H39ClN4O6/c1-34(16-23-17-36-29-8-3-2-7-28(23)29,37-33(43)45-39-25-11-21-9-22(13-25)14-26(39)12-21)32(42)38-18-27(15-30(38)31(40)41)44-19-20-5-4-6-24(35)10-20/h2-8,10,17,21-22,25-27,30,36H,9,11-16,18-19H2,1H3,(H,37,43)(H,40,41)/t21-,22+,25-,26+,27-,30-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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