BDBM50070411 (2R,4S)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(2,4-dichloro-phenoxy)-piperidine-2-carboxylic acid::CHEMBL283040

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl

InChI Key: InChIKey=IDKSGHOHJZZRDZ-MYJMFBNBSA-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 = 50070411   

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
CCKBR (RAT)	BDBM50070411 ((2R,4S)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |wU:1.13,wD:33.39,31.42,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:19.18.25:21.22.23,15:16:25:21.23.20,(10.82,-4.07,;10.82,-5.61,;10.86,-7.16,;10.05,-8.5,;8.51,-8.62,;8.18,-10.14,;9.5,-10.91,;9.79,-12.42,;11.24,-12.92,;12.4,-11.91,;12.11,-10.41,;10.66,-9.91,;9.47,-4.86,;8.15,-5.66,;8.18,-7.21,;6.8,-4.92,;5.48,-5.71,;3.97,-5.28,;3.97,-3.7,;2.94,-2.45,;1.52,-3.04,;1.56,-4.57,;2.55,-5.86,;2.94,-4.92,;4.26,-4.42,;4.29,-2.94,;12.14,-4.83,;12.11,-3.28,;13.69,-4.83,;14.46,-3.48,;16,-3.48,;16.78,-4.83,;16,-6.16,;14.46,-6.16,;14.46,-7.7,;15.78,-8.5,;13.11,-8.46,;18.32,-4.83,;19.87,-4.83,;20.64,-6.16,;22.15,-6.18,;22.92,-4.83,;24.47,-4.83,;22.15,-3.51,;20.61,-3.51,;19.83,-2.17,)| Show InChI InChI=1S/C35H39Cl2N3O6/c1-35(17-23-18-38-28-5-3-2-4-26(23)28,39-34(44)46-31-21-11-19-10-20(13-21)14-22(31)12-19)33(43)40-9-8-25(16-29(40)32(41)42)45-30-7-6-24(36)15-27(30)37/h2-7,15,18-22,25,29,31,38H,8-14,16-17H2,1H3,(H,39,44)(H,41,42)/t19?,20?,21?,22?,25-,29+,31?,35+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Capacity to inhibit [3H]-p CCK 8 binding to membrane preparations of CHO cells transfected with the rat CCK-B receptor				Bioorg Med Chem Lett 8: 1419-24 (1999) BindingDB Entry DOI: 10.7270/Q2NZ86S0
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50070411 ((2R,4S)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |wU:1.13,wD:33.39,31.42,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:19.18.25:21.22.23,15:16:25:21.23.20,(10.82,-4.07,;10.82,-5.61,;10.86,-7.16,;10.05,-8.5,;8.51,-8.62,;8.18,-10.14,;9.5,-10.91,;9.79,-12.42,;11.24,-12.92,;12.4,-11.91,;12.11,-10.41,;10.66,-9.91,;9.47,-4.86,;8.15,-5.66,;8.18,-7.21,;6.8,-4.92,;5.48,-5.71,;3.97,-5.28,;3.97,-3.7,;2.94,-2.45,;1.52,-3.04,;1.56,-4.57,;2.55,-5.86,;2.94,-4.92,;4.26,-4.42,;4.29,-2.94,;12.14,-4.83,;12.11,-3.28,;13.69,-4.83,;14.46,-3.48,;16,-3.48,;16.78,-4.83,;16,-6.16,;14.46,-6.16,;14.46,-7.7,;15.78,-8.5,;13.11,-8.46,;18.32,-4.83,;19.87,-4.83,;20.64,-6.16,;22.15,-6.18,;22.92,-4.83,;24.47,-4.83,;22.15,-3.51,;20.61,-3.51,;19.83,-2.17,)| Show InChI InChI=1S/C35H39Cl2N3O6/c1-35(17-23-18-38-28-5-3-2-4-26(23)28,39-34(44)46-31-21-11-19-10-20(13-21)14-22(31)12-19)33(43)40-9-8-25(16-29(40)32(41)42)45-30-7-6-24(36)15-27(30)37/h2-7,15,18-22,25,29,31,38H,8-14,16-17H2,1H3,(H,39,44)(H,41,42)/t19?,20?,21?,22?,25-,29+,31?,35+/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against CCK-A receptor in guinea pig pancreatic membranes				Bioorg Med Chem Lett 8: 1419-24 (1999) BindingDB Entry DOI: 10.7270/Q2NZ86S0
					More data for this Ligand-Target Pair