BDBM50046119 3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-{[1-tert-butoxycarbonyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-phenyl-methyl}-succinamic acid::CHEMBL299603::CHEMBL3351055

SMILES: CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1

InChI Key: InChIKey=PYIPDZOZLYKKNB-JCHPWOLLSA-N

Data: 2 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 2 hits for monomerid = 50046119   

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))	BDBM50046119 (3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-{[1...) Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C40H43N5O7/c1-40(2,3)52-39(51)33(21-27-23-42-31-19-10-9-18-29(27)31)44-38(50)35(25-13-5-4-6-14-25)45-37(49)32(22-34(46)47)43-36(48)30(41)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,30,32-33,35,42H,20-22,41H2,1-3H3,(H,43,48)(H,44,50)(H,45,49)(H,46,47)/t30-,32-,33-,35?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane				J Med Chem 36: 166-72 (1993) BindingDB Entry DOI: 10.7270/Q26M37FJ
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50046119 (3-(2-Amino-3-naphthalen-1-yl-propionylamino)-N-{[1...) Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C40H43N5O7/c1-40(2,3)52-39(51)33(21-27-23-42-31-19-10-9-18-29(27)31)44-38(50)35(25-13-5-4-6-14-25)45-37(49)32(22-34(46)47)43-36(48)30(41)20-26-16-11-15-24-12-7-8-17-28(24)26/h4-19,23,30,32-33,35,42H,20-22,41H2,1-3H3,(H,43,48)(H,44,50)(H,45,49)(H,46,47)/t30-,32-,33-,35?/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane				J Med Chem 36: 166-72 (1993) BindingDB Entry DOI: 10.7270/Q26M37FJ
					More data for this Ligand-Target Pair