BDBM50092406 3-tert-Butoxycarbonylamino-N-[1-({1-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-carboxy-ethylcarbamoyl]-pentyl}-methyl-carbamoyl)-2-(1H-indol-3-yl)-ethyl]-succinamic acid::CHEMBL120452

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

InChI Key: InChIKey=XTVSXYHVHUKZLP-QKUYTOGTSA-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 = 50092406   

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))	BDBM50092406 (3-tert-Butoxycarbonylamino-N-[1-({1-[1-(1-carbamoy...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C40H53N7O11/c1-6-7-17-31(37(55)44-28(20-32(48)49)35(53)43-27(34(41)52)18-23-13-9-8-10-14-23)47(5)38(56)30(19-24-22-42-26-16-12-11-15-25(24)26)45-36(54)29(21-33(50)51)46-39(57)58-40(2,3)4/h8-16,22,27-31,42H,6-7,17-21H2,1-5H3,(H2,41,52)(H,43,53)(H,44,55)(H,45,54)(H,46,57)(H,48,49)(H,50,51)/t27-,28-,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against cholecystokinin type B receptor on guinea pig cortex.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair