Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50469547'   

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))	BDBM50469547 (CHEMBL4278080) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C49H65N11O9SSe/c1-70-25-22-37(46(67)60-40(28-43(63)64)48(69)59-38(44(50)65)26-31-14-5-2-6-15-31)58-47(68)39(27-32-29-55-35-19-11-10-18-34(32)35)57-41(61)21-9-4-12-23-53-45(66)36(20-13-24-54-49(51)52)56-42(62)30-71-33-16-7-3-8-17-33/h2-3,5-8,10-11,14-19,29,36-40,55H,4,9,12-13,20-28,30H2,1H3,(H2,50,65)(H,53,66)(H,56,62)(H,57,61)(H,58,68)(H,59,69)(H,60,67)(H,63,64)(H4,51,52,54)/t36-,37-,38-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Displacement of non-sulfated CCK-8 from CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis				J Med Chem 61: 10173-10184 (2018) Article DOI: 10.1021/acs.jmedchem.8b01320 BindingDB Entry DOI: 10.7270/Q2J105V6
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50469547 (CHEMBL4278080) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C49H65N11O9SSe/c1-70-25-22-37(46(67)60-40(28-43(63)64)48(69)59-38(44(50)65)26-31-14-5-2-6-15-31)58-47(68)39(27-32-29-55-35-19-11-10-18-34(32)35)57-41(61)21-9-4-12-23-53-45(66)36(20-13-24-54-49(51)52)56-42(62)30-71-33-16-7-3-8-17-33/h2-3,5-8,10-11,14-19,29,36-40,55H,4,9,12-13,20-28,30H2,1H3,(H2,50,65)(H,53,66)(H,56,62)(H,57,61)(H,58,68)(H,59,69)(H,60,67)(H,63,64)(H4,51,52,54)/t36-,37-,38-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
University of Montpellier Curated by ChEMBL					Assay Description Binding affinity to CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis				J Med Chem 61: 10173-10184 (2018) Article DOI: 10.1021/acs.jmedchem.8b01320 BindingDB Entry DOI: 10.7270/Q2J105V6
					More data for this Ligand-Target Pair