BDBM50045817 CHEMBL319085::{[2-(Adamantan-2-yloxycarbonylamino)-2-methyl-3-phenyl-propionyl]-phenethyl-amino}-acetic acid

SMILES: CC(Cc1ccccc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O

InChI Key: InChIKey=DEOUZOCNOYBARB-NEXRDHHJSA-N

Data: 2 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 2 hits for monomerid = 50045817   

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))	BDBM50045817 (CHEMBL319085 | {[2-(Adamantan-2-yloxycarbonylamino...) Show SMILES CC(Cc1ccccc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:18.19,16.23,14.15,wD:20.22,TLB:12:13:15:18.22.17,THB:19:20:15:18.22.17,19:18:13.20.21:15,(13.77,-12.89,;12.44,-13.67,;11.13,-14.44,;11.14,-15.99,;12.47,-16.74,;12.48,-18.28,;11.14,-19.06,;9.81,-18.3,;9.8,-16.76,;10.95,-13.26,;9.62,-12.49,;8.52,-13.58,;9.22,-11,;7.73,-10.6,;6,-10.62,;4.92,-11.65,;3.65,-11,;3.09,-9.6,;4.21,-8.55,;5.84,-8.4,;6.4,-9.81,;5.26,-10.9,;5.42,-9.32,;13.79,-14.43,;13.77,-15.97,;15.33,-14.43,;16.08,-13.1,;17.62,-13.1,;18.39,-11.76,;19.93,-11.77,;20.7,-10.44,;19.93,-9.1,;18.39,-9.11,;17.62,-10.44,;16.1,-15.76,;17.64,-15.76,;18.41,-17.09,;18.41,-14.43,)| Show InChI InChI=1S/C31H38N2O5/c1-31(19-22-10-6-3-7-11-22,29(36)33(20-27(34)35)13-12-21-8-4-2-5-9-21)32-30(37)38-28-25-15-23-14-24(17-25)18-26(28)16-23/h2-11,23-26,28H,12-20H2,1H3,(H,32,37)(H,34,35)/t23-,24+,25-,26+,28?,31?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50045817 (CHEMBL319085 | {[2-(Adamantan-2-yloxycarbonylamino...) Show SMILES CC(Cc1ccccc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:18.19,16.23,14.15,wD:20.22,TLB:12:13:15:18.22.17,THB:19:20:15:18.22.17,19:18:13.20.21:15,(13.77,-12.89,;12.44,-13.67,;11.13,-14.44,;11.14,-15.99,;12.47,-16.74,;12.48,-18.28,;11.14,-19.06,;9.81,-18.3,;9.8,-16.76,;10.95,-13.26,;9.62,-12.49,;8.52,-13.58,;9.22,-11,;7.73,-10.6,;6,-10.62,;4.92,-11.65,;3.65,-11,;3.09,-9.6,;4.21,-8.55,;5.84,-8.4,;6.4,-9.81,;5.26,-10.9,;5.42,-9.32,;13.79,-14.43,;13.77,-15.97,;15.33,-14.43,;16.08,-13.1,;17.62,-13.1,;18.39,-11.76,;19.93,-11.77,;20.7,-10.44,;19.93,-9.1,;18.39,-9.11,;17.62,-10.44,;16.1,-15.76,;17.64,-15.76,;18.41,-17.09,;18.41,-14.43,)| Show InChI InChI=1S/C31H38N2O5/c1-31(19-22-10-6-3-7-11-22,29(36)33(20-27(34)35)13-12-21-8-4-2-5-9-21)32-30(37)38-28-25-15-23-14-24(17-25)18-26(28)16-23/h2-11,23-26,28H,12-20H2,1H3,(H,32,37)(H,34,35)/t23-,24+,25-,26+,28?,31?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
					More data for this Ligand-Target Pair