Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50348752'   

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))	BDBM50348752 (CHEMBL1807150) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C71H103N13O23S/c1-48(73-17-26-102-27-28-103-29-30-104-31-32-105-33-34-106-35-36-107-65(95)47-84-24-22-82(45-63(91)92)20-18-81(44-62(89)90)19-21-83(23-25-84)46-64(93)94)67(97)79-57(39-50-12-14-52(85)15-13-50)68(98)75-43-60(86)76-58(40-51-42-74-54-11-7-6-10-53(51)54)70(100)77-55(16-37-108-2)69(99)80-59(41-61(87)88)71(101)78-56(66(72)96)38-49-8-4-3-5-9-49/h3-15,42,48,55-59,73-74,85H,16-41,43-47H2,1-2H3,(H2,72,96)(H,75,98)(H,76,86)(H,77,100)(H,78,101)(H,79,97)(H,80,99)(H,87,88)(H,89,90)(H,91,92)(H,93,94)/t48-,55-,56-,57-,58-,59-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University Medical Centre Ljubljana Curated by ChEMBL					Assay Description Displacement of [125I]CCK from gastrin receptor isolated from human tumor tissues				J Med Chem 54: 2602-9 (2011) Article DOI: 10.1021/jm101279a BindingDB Entry DOI: 10.7270/Q2668DK5
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50348752 (CHEMBL1807150) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NCCOCCOCCOCCOCCOCCOC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C71H103N13O23S/c1-48(73-17-26-102-27-28-103-29-30-104-31-32-105-33-34-106-35-36-107-65(95)47-84-24-22-82(45-63(91)92)20-18-81(44-62(89)90)19-21-83(23-25-84)46-64(93)94)67(97)79-57(39-50-12-14-52(85)15-13-50)68(98)75-43-60(86)76-58(40-51-42-74-54-11-7-6-10-53(51)54)70(100)77-55(16-37-108-2)69(99)80-59(41-61(87)88)71(101)78-56(66(72)96)38-49-8-4-3-5-9-49/h3-15,42,48,55-59,73-74,85H,16-41,43-47H2,1-2H3,(H2,72,96)(H,75,98)(H,76,86)(H,77,100)(H,78,101)(H,79,97)(H,80,99)(H,87,88)(H,89,90)(H,91,92)(H,93,94)/t48-,55-,56-,57-,58-,59-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
University Medical Centre Ljubljana Curated by ChEMBL					Assay Description Agonist activity at gastrin receptor in rat AR4-2J cells assessed as intracellular calcium mobilization by fluorescence assay				J Med Chem 54: 2602-9 (2011) Article DOI: 10.1021/jm101279a BindingDB Entry DOI: 10.7270/Q2668DK5
					More data for this Ligand-Target Pair