BDBM50070414 CHEMBL286247::{[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-[2-(4-chloro-phenyl)-ethyl]-amino}-acetic acid

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O

InChI Key: InChIKey=LZZPPPZINPSHEI-YQRDHOFASA-N

Data: 2 KI  1 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 3 hits for monomerid = 50070414   

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)	BDBM50070414 (CHEMBL286247 | {[(R)-2-(Adamantan-2-yloxycarbonyla...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:1.13,wD:1.0,TLB:15:16:19.18.25:21.23.22,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,15:16:18:21.22.20,(7.91,-7.33,;7.94,-8.88,;7.94,-10.43,;7.17,-11.75,;5.62,-11.9,;5.27,-13.39,;6.62,-14.19,;6.91,-15.68,;8.36,-16.2,;9.52,-15.17,;9.23,-13.68,;7.78,-13.17,;6.59,-8.13,;5.23,-8.91,;5.27,-10.46,;3.91,-8.17,;2.56,-8.97,;1.07,-8.54,;-.34,-9.1,;-1.38,-7.84,;-1.38,-6.3,;.01,-5.72,;1.07,-6.94,;1.37,-6.2,;1.37,-7.69,;.04,-8.17,;9.27,-8.07,;9.23,-6.52,;10.81,-8.07,;11.55,-6.74,;13.09,-6.72,;13.84,-5.38,;13.06,-4.07,;13.8,-2.75,;15.35,-2.72,;16.1,-1.4,;16.12,-4.04,;15.36,-5.38,;11.55,-9.42,;13.1,-9.39,;13.9,-10.72,;13.87,-8.04,)| Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21?,22?,23?,24?,30?,33-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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)	BDBM50070414 (CHEMBL286247 | {[(R)-2-(Adamantan-2-yloxycarbonyla...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:1.13,wD:1.0,TLB:15:16:19.18.25:21.23.22,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,15:16:18:21.22.20,(7.91,-7.33,;7.94,-8.88,;7.94,-10.43,;7.17,-11.75,;5.62,-11.9,;5.27,-13.39,;6.62,-14.19,;6.91,-15.68,;8.36,-16.2,;9.52,-15.17,;9.23,-13.68,;7.78,-13.17,;6.59,-8.13,;5.23,-8.91,;5.27,-10.46,;3.91,-8.17,;2.56,-8.97,;1.07,-8.54,;-.34,-9.1,;-1.38,-7.84,;-1.38,-6.3,;.01,-5.72,;1.07,-6.94,;1.37,-6.2,;1.37,-7.69,;.04,-8.17,;9.27,-8.07,;9.23,-6.52,;10.81,-8.07,;11.55,-6.74,;13.09,-6.72,;13.84,-5.38,;13.06,-4.07,;13.8,-2.75,;15.35,-2.72,;16.1,-1.4,;16.12,-4.04,;15.36,-5.38,;11.55,-9.42,;13.1,-9.39,;13.9,-10.72,;13.87,-8.04,)| Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21?,22?,23?,24?,30?,33-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.06E+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
Cholecystokinin receptor (RAT)	BDBM50070414 (CHEMBL286247 | {[(R)-2-(Adamantan-2-yloxycarbonyla...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:1.13,wD:1.0,TLB:15:16:19.18.25:21.23.22,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,15:16:18:21.22.20,(7.91,-7.33,;7.94,-8.88,;7.94,-10.43,;7.17,-11.75,;5.62,-11.9,;5.27,-13.39,;6.62,-14.19,;6.91,-15.68,;8.36,-16.2,;9.52,-15.17,;9.23,-13.68,;7.78,-13.17,;6.59,-8.13,;5.23,-8.91,;5.27,-10.46,;3.91,-8.17,;2.56,-8.97,;1.07,-8.54,;-.34,-9.1,;-1.38,-7.84,;-1.38,-6.3,;.01,-5.72,;1.07,-6.94,;1.37,-6.2,;1.37,-7.69,;.04,-8.17,;9.27,-8.07,;9.23,-6.52,;10.81,-8.07,;11.55,-6.74,;13.09,-6.72,;13.84,-5.38,;13.06,-4.07,;13.8,-2.75,;15.35,-2.72,;16.1,-1.4,;16.12,-4.04,;15.36,-5.38,;11.55,-9.42,;13.1,-9.39,;13.9,-10.72,;13.87,-8.04,)| Show InChI InChI=1S/C33H38ClN3O5/c1-33(17-25-18-35-28-5-3-2-4-27(25)28,31(40)37(19-29(38)39)11-10-20-6-8-26(34)9-7-20)36-32(41)42-30-23-13-21-12-22(15-23)16-24(30)14-21/h2-9,18,21-24,30,35H,10-17,19H2,1H3,(H,36,41)(H,38,39)/t21?,22?,23?,24?,30?,33-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	217	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