BDBM50040521 (S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-((S)-1-dimethylcarbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL156642

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

InChI Key: InChIKey=XTYCUPSISNRJRG-BQYLNSIHSA-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 = 50040521   

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))	BDBM50040521 ((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...) Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C45H58N8O9/c1-28-16-10-12-20-32(28)51-43(60)46-23-15-14-22-34(48-40(57)35(52-44(61)62-45(2,3)4)25-30-27-47-33-21-13-11-19-31(30)33)39(56)49-36(26-38(54)55)41(58)50-37(42(59)53(5)6)24-29-17-8-7-9-18-29/h7-13,16-21,27,34-37,47H,14-15,22-26H2,1-6H3,(H,48,57)(H,49,56)(H,50,58)(H,52,61)(H,54,55)(H2,46,51,60)/t34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex				J Med Chem 37: 630-5 (1994) BindingDB Entry DOI: 10.7270/Q23X878C
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50040521 ((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...) Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C45H58N8O9/c1-28-16-10-12-20-32(28)51-43(60)46-23-15-14-22-34(48-40(57)35(52-44(61)62-45(2,3)4)25-30-27-47-33-21-13-11-19-31(30)33)39(56)49-36(26-38(54)55)41(58)50-37(42(59)53(5)6)24-29-17-8-7-9-18-29/h7-13,16-21,27,34-37,47H,14-15,22-26H2,1-6H3,(H,48,57)(H,49,56)(H,50,58)(H,52,61)(H,54,55)(H2,46,51,60)/t34-,35-,36-,37-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas				J Med Chem 37: 630-5 (1994) BindingDB Entry DOI: 10.7270/Q23X878C
					More data for this Ligand-Target Pair