BDBM50281678 (S)-3-{(R)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionyl]-6-[(Z)-3-(4-hydroxy-phenyl)-acryloylamino]-hexanoylamino}-N-((S)-1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid::CHEMBL169126

SMILES: CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

InChI Key: InChIKey=NYIVVJVUFWFIAR-ZSFNTTHQSA-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 = 50281678   

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)	BDBM50281678 ((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)C=Cc1ccc(O)cc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33| Show InChI InChI=1S/C45H54N6O10/c1-45(2,3)61-44(60)50-35(25-30-27-48-34-16-9-8-14-32(30)34)40(56)33(15-10-11-23-47-38(53)22-19-28-17-20-31(52)21-18-28)42(58)49-36(26-39(54)55)43(59)51(4)37(41(46)57)24-29-12-6-5-7-13-29/h5-9,12-14,16-22,27,33,35-37,48,52H,10-11,15,23-26H2,1-4H3,(H2,46,57)(H,47,53)(H,49,58)(H,50,60)(H,54,55)/t33-,35+,36+,37+/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.20	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))	BDBM50281678 ((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)C=Cc1ccc(O)cc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C |w:32.33| Show InChI InChI=1S/C45H54N6O10/c1-45(2,3)61-44(60)50-35(25-30-27-48-34-16-9-8-14-32(30)34)40(56)33(15-10-11-23-47-38(53)22-19-28-17-20-31(52)21-18-28)42(58)49-36(26-39(54)55)43(59)51(4)37(41(46)57)24-29-12-6-5-7-13-29/h5-9,12-14,16-22,27,33,35-37,48,52H,10-11,15,23-26H2,1-4H3,(H2,46,57)(H,47,53)(H,49,58)(H,50,60)(H,54,55)/t33-,35+,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	710	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