BDBM50281677 (S)-3-[(R)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionyl]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-((S)-1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid::CHEMBL171227

SMILES: CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

InChI Key: InChIKey=ULFMKFVDDHEQHV-BAKXNGGISA-N

Data: 2 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 2 hits for monomerid = 50281677   

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 A receptor (Cavia porcellus)	BDBM50281677 ((S)-3-[(R)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...) Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C44H55N7O9/c1-27-15-9-11-20-32(27)49-42(58)46-22-14-13-19-31(38(54)34(50-43(59)60-44(2,3)4)24-29-26-47-33-21-12-10-18-30(29)33)40(56)48-35(25-37(52)53)41(57)51(5)36(39(45)55)23-28-16-7-6-8-17-28/h6-12,15-18,20-21,26,31,34-36,47H,13-14,19,22-25H2,1-5H3,(H2,45,55)(H,48,56)(H,50,59)(H,52,53)(H2,46,49,58)/t31-,34+,35+,36+/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton-Hunter-CCK-8 from guinea pig pancreas Cholecystokinin type A receptor				Bioorg Med Chem Lett 3: 855-860 (1993) Article DOI: 10.1016/S0960-894X(00)80680-0 BindingDB Entry DOI: 10.7270/Q2DJ5FJ9
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50281677 ((S)-3-[(R)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...) Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C44H55N7O9/c1-27-15-9-11-20-32(27)49-42(58)46-22-14-13-19-31(38(54)34(50-43(59)60-44(2,3)4)24-29-26-47-33-21-12-10-18-30(29)33)40(56)48-35(25-37(52)53)41(57)51(5)36(39(45)55)23-28-16-7-6-8-17-28/h6-12,15-18,20-21,26,31,34-36,47H,13-14,19,22-25H2,1-5H3,(H2,45,55)(H,48,56)(H,50,59)(H,52,53)(H2,46,49,58)/t31-,34+,35+,36+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-Bolton-Hunter-CCK-8 from guinea pig cortex Cholecystokinin type B receptor				Bioorg Med Chem Lett 3: 855-860 (1993) Article DOI: 10.1016/S0960-894X(00)80680-0 BindingDB Entry DOI: 10.7270/Q2DJ5FJ9
					More data for this Ligand-Target Pair