BDBM50286167 CHEMBL105618::[2-(4-Benzoyl-piperidin-1-yl)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-ethyl]-carbamic acid adamantan-2-yl ester

SMILES: CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(CC1)C(=O)c1ccccc1

InChI Key: InChIKey=QWONBAWOJJGJQN-JYQBMIDVSA-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 = 50286167   

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))	BDBM50286167 (CHEMBL105618 | [2-(4-Benzoyl-piperidin-1-yl)-1-(1H...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(CC1)C(=O)c1ccccc1 |wU:19.20,23.24,wD:21.28,17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(8.81,-8.94,;9.18,-7.46,;9.26,-5.91,;10.31,-4.78,;11.84,-4.96,;12.48,-3.56,;11.34,-2.53,;11.38,-1,;10.06,-.2,;8.73,-.97,;8.71,-2.49,;10.01,-3.27,;7.8,-8.14,;6.52,-7.3,;6.59,-5.76,;5.2,-8.09,;3.84,-7.35,;3.29,-5.95,;2.01,-5.32,;.94,-6.35,;-.8,-6.39,;.54,-7.16,;1.12,-8.57,;2.75,-8.41,;1.53,-7.64,;1.68,-6.06,;10.47,-8.29,;10.38,-9.83,;11.84,-7.59,;12.89,-6.46,;14.33,-7.44,;15.66,-7.31,;14.61,-8.46,;13.09,-7.46,;16.79,-8.38,;16.42,-9.88,;18.25,-7.94,;18.6,-6.45,;20.08,-6,;21.21,-7.07,;20.85,-8.57,;19.37,-9,)| Show InChI InChI=1S/C35H41N3O4/c1-35(20-28-21-36-30-10-6-5-9-29(28)30,37-34(41)42-32-26-16-22-15-23(18-26)19-27(32)17-22)33(40)38-13-11-25(12-14-38)31(39)24-7-3-2-4-8-24/h2-10,21-23,25-27,32,36H,11-20H2,1H3,(H,37,41)/t22-,23+,26-,27+,32?,35?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue				Bioorg Med Chem Lett 5: 3057-3062 (1995) Article DOI: 10.1016/0960-894X(95)00537-3 BindingDB Entry DOI: 10.7270/Q2BZ6604
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50286167 (CHEMBL105618 | [2-(4-Benzoyl-piperidin-1-yl)-1-(1H...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1CCC(CC1)C(=O)c1ccccc1 |wU:19.20,23.24,wD:21.28,17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(8.81,-8.94,;9.18,-7.46,;9.26,-5.91,;10.31,-4.78,;11.84,-4.96,;12.48,-3.56,;11.34,-2.53,;11.38,-1,;10.06,-.2,;8.73,-.97,;8.71,-2.49,;10.01,-3.27,;7.8,-8.14,;6.52,-7.3,;6.59,-5.76,;5.2,-8.09,;3.84,-7.35,;3.29,-5.95,;2.01,-5.32,;.94,-6.35,;-.8,-6.39,;.54,-7.16,;1.12,-8.57,;2.75,-8.41,;1.53,-7.64,;1.68,-6.06,;10.47,-8.29,;10.38,-9.83,;11.84,-7.59,;12.89,-6.46,;14.33,-7.44,;15.66,-7.31,;14.61,-8.46,;13.09,-7.46,;16.79,-8.38,;16.42,-9.88,;18.25,-7.94,;18.6,-6.45,;20.08,-6,;21.21,-7.07,;20.85,-8.57,;19.37,-9,)| Show InChI InChI=1S/C35H41N3O4/c1-35(20-28-21-36-30-10-6-5-9-29(28)30,37-34(41)42-32-26-16-22-15-23(18-26)19-27(32)17-22)33(40)38-13-11-25(12-14-38)31(39)24-7-3-2-4-8-24/h2-10,21-23,25-27,32,36H,11-20H2,1H3,(H,37,41)/t22-,23+,26-,27+,32?,35?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue				Bioorg Med Chem Lett 5: 3057-3062 (1995) Article DOI: 10.1016/0960-894X(95)00537-3 BindingDB Entry DOI: 10.7270/Q2BZ6604
					More data for this Ligand-Target Pair