Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50045801'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50045801 (CHEMBL95461 | {[2-(Adamantan-2-yloxycarbonylamino)...) Show SMILES OC(=O)CN(CCc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:37.39,wD:35.38,33.42,31.44,TLB:29:30:32:35.39.34,THB:38:33:30.37.36:39,36:37:32:35.39.34,36:35:30.37.38:32,(10.53,-4,;9.76,-2.67,;10.53,-1.33,;8.22,-2.67,;7.45,-1.34,;8.22,,;9.76,,;10.53,1.35,;12.07,1.33,;12.84,2.66,;12.06,4.01,;10.51,4.01,;9.75,2.66,;5.91,-1.34,;5.9,-2.88,;4.58,-.57,;3.25,-1.35,;3.27,-2.89,;4.18,-4.13,;3.27,-5.39,;1.8,-4.92,;.45,-5.69,;-.88,-4.92,;-.88,-3.38,;.45,-2.6,;1.8,-3.37,;3.09,-.17,;1.75,.6,;.65,-.47,;1.35,2.09,;-.13,2.49,;-1.46,3.29,;-2.03,4.71,;-3.68,4.55,;-4.78,3.5,;-4.22,2.09,;-2.96,1.45,;-1.88,2.49,;-2.44,3.78,;-2.61,2.19,)| Show InChI InChI=1S/C32H37N3O5/c36-29(37)19-35(11-10-20-6-2-1-3-7-20)31(38)28(17-25-18-33-27-9-5-4-8-26(25)27)34-32(39)40-30-23-13-21-12-22(15-23)16-24(30)14-21/h1-9,18,21-24,28,30,33H,10-17,19H2,(H,34,39)(H,36,37)/t21-,22+,23-,24+,28?,30?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	224	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