BDBM50451028 CHEMBL2062146::PD-149164

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccc(F)cc1

InChI Key: InChIKey=UZOOGOCMUARFDV-FPRYDEEZSA-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 = 50451028   

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 (RAT)	BDBM50451028 (CHEMBL2062146 | PD-149164) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccc(F)cc1 |wD:29.34,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.23.22,20:21:16:19.18.25,(7.6,-.86,;7.7,-2.9,;7.7,-4.44,;6.91,-5.77,;7.73,-7.1,;6.7,-8.26,;5.28,-7.66,;3.9,-8.29,;2.62,-7.43,;2.76,-5.89,;4.18,-5.23,;5.41,-6.12,;6.37,-2.13,;5.02,-2.9,;5.02,-4.44,;3.69,-2.12,;2.36,-2.89,;2.36,-4.43,;1.57,-5.75,;.24,-4.98,;-1.39,-5.51,;-.3,-4.43,;1.03,-5.19,;-.3,-2.89,;1.03,-2.11,;.26,-3.44,;9.03,-2.13,;9.03,-.59,;10.36,-2.9,;11.7,-2.12,;11.7,-.58,;13.03,.19,;14.52,.6,;13.03,1.73,;13.03,-2.89,;14.37,-2.12,;15.7,-2.89,;17.03,-2.12,;17.03,-.58,;18.36,.2,;15.68,.19,;14.35,-.59,)| Show InChI InChI=1S/C33H38FN3O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
CCIPE-Faculte de Pharmacie Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor				Bioorg Med Chem Lett 10: 1245-8 (2000) BindingDB Entry DOI: 10.7270/Q2NC61RV
					More data for this Ligand-Target Pair
Cholecystokinin receptor (MOUSE)	BDBM50451028 (CHEMBL2062146 | PD-149164) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccc(F)cc1 |wD:29.34,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.23.22,20:21:16:19.18.25,(7.6,-.86,;7.7,-2.9,;7.7,-4.44,;6.91,-5.77,;7.73,-7.1,;6.7,-8.26,;5.28,-7.66,;3.9,-8.29,;2.62,-7.43,;2.76,-5.89,;4.18,-5.23,;5.41,-6.12,;6.37,-2.13,;5.02,-2.9,;5.02,-4.44,;3.69,-2.12,;2.36,-2.89,;2.36,-4.43,;1.57,-5.75,;.24,-4.98,;-1.39,-5.51,;-.3,-4.43,;1.03,-5.19,;-.3,-2.89,;1.03,-2.11,;.26,-3.44,;9.03,-2.13,;9.03,-.59,;10.36,-2.9,;11.7,-2.12,;11.7,-.58,;13.03,.19,;14.52,.6,;13.03,1.73,;13.03,-2.89,;14.37,-2.12,;15.7,-2.89,;17.03,-2.12,;17.03,-.58,;18.36,.2,;15.68,.19,;14.35,-.59,)| Show InChI InChI=1S/C33H38FN3O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0830	n/a	n/a	n/a	n/a	n/a	n/a
CCIPE-Faculte de Pharmacie Curated by ChEMBL					Assay Description Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane				Bioorg Med Chem Lett 10: 1245-8 (2000) BindingDB Entry DOI: 10.7270/Q2NC61RV
					More data for this Ligand-Target Pair