BDBM50287269 CHEMBL33698::{3-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-propyl}-carbamic acid 3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzyl ester

SMILES: CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1

InChI Key: InChIKey=YZHTWMSZYMJRIF-RWYGWLOXSA-N

Data: 3 IC50

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 3 hits for monomerid = 50287269   

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))	BDBM50287269 (CHEMBL33698 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-21-7-6-20-37(38)40(34-16-4-2-5-17-34)48-41(42(50)53)49-43(54)47-35-18-10-15-33(28-35)31-57-44(55)46-23-12-22-39(52)45-24-13-27-56-36-19-11-14-32(29-36)30-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,28-29,41H,3,8-9,12-13,22-27,30-31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against gastrin receptor.				Bioorg Med Chem Lett 6: 1427-1430 (1996) Article DOI: 10.1016/S0960-894X(96)00249-1 BindingDB Entry DOI: 10.7270/Q2XD11NF
					More data for this Ligand-Target Pair
Cholecystokinin receptor (MOUSE)	BDBM50287269 (CHEMBL33698 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-21-7-6-20-37(38)40(34-16-4-2-5-17-34)48-41(42(50)53)49-43(54)47-35-18-10-15-33(28-35)31-57-44(55)46-23-12-22-39(52)45-24-13-27-56-36-19-11-14-32(29-36)30-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,28-29,41H,3,8-9,12-13,22-27,30-31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Cholecystokinin type B receptor				Bioorg Med Chem Lett 6: 1427-1430 (1996) Article DOI: 10.1016/S0960-894X(96)00249-1 BindingDB Entry DOI: 10.7270/Q2XD11NF
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Mus musculus)	BDBM50287269 (CHEMBL33698 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-21-7-6-20-37(38)40(34-16-4-2-5-17-34)48-41(42(50)53)49-43(54)47-35-18-10-15-33(28-35)31-57-44(55)46-23-12-22-39(52)45-24-13-27-56-36-19-11-14-32(29-36)30-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,28-29,41H,3,8-9,12-13,22-27,30-31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Cholecystokinin type A receptor				Bioorg Med Chem Lett 6: 1427-1430 (1996) Article DOI: 10.1016/S0960-894X(96)00249-1 BindingDB Entry DOI: 10.7270/Q2XD11NF
					More data for this Ligand-Target Pair