BDBM50046118 CHEMBL3351057::CHEMBL46843::N-{[1-tert-Butoxycarbonyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-phenyl-methyl}-3-(2-dimethylamino-3-naphthalen-1-yl-propionylamino)-succinamic acid

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

InChI Key: InChIKey=HQWFKIKZWCAFFU-OVVPJKSGSA-N

Data: 3 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 3 hits for monomerid = 50046118   

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))	BDBM50046118 (CHEMBL3351057 | N-{[1-tert-Butoxycarbonyl-2-(1H-in...) Show SMILES CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1 Show InChI InChI=1S/C42H47N5O7/c1-42(2,3)54-41(53)34(22-29-25-43-32-21-12-11-20-31(29)32)45-40(52)37(27-15-7-6-8-16-27)46-38(50)33(24-36(48)49)44-39(51)35(47(4)5)23-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,43H,22-24H2,1-5H3,(H,44,51)(H,45,52)(H,46,50)(H,48,49)/t33-,34-,35-,37?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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
CCKBR (RAT)	BDBM50046118 (CHEMBL3351057 | N-{[1-tert-Butoxycarbonyl-2-(1H-in...) Show SMILES CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1 Show InChI InChI=1S/C42H47N5O7/c1-42(2,3)54-41(53)34(22-29-25-43-32-21-12-11-20-31(29)32)45-40(52)37(27-15-7-6-8-16-27)46-38(50)33(24-36(48)49)44-39(51)35(47(4)5)23-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,43H,22-24H2,1-5H3,(H,44,51)(H,45,52)(H,46,50)(H,48,49)/t33-,34-,35-,37?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Affinity of compound on binding of [3H]pCCK-8 to the cholecystokinin type B receptor in rat 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)	BDBM50046118 (CHEMBL3351057 | N-{[1-tert-Butoxycarbonyl-2-(1H-in...) Show SMILES CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)c1ccccc1 Show InChI InChI=1S/C42H47N5O7/c1-42(2,3)54-41(53)34(22-29-25-43-32-21-12-11-20-31(29)32)45-40(52)37(27-15-7-6-8-16-27)46-38(50)33(24-36(48)49)44-39(51)35(47(4)5)23-28-18-13-17-26-14-9-10-19-30(26)28/h6-21,25,33-35,37,43H,22-24H2,1-5H3,(H,44,51)(H,45,52)(H,46,50)(H,48,49)/t33-,34-,35-,37?/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	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