Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50348753'   

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))	BDBM50348753 (CHEMBL1806528) 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)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=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/C74H103N19O23S/c1-42(81-69(111)50(17-20-58(76)96)84-71(113)51(18-21-59(77)97)85-70(112)49(16-19-57(75)95)82-61(99)38-90-23-25-91(39-63(102)103)27-29-93(41-65(106)107)30-28-92(26-24-90)40-64(104)105)67(109)88-54(33-44-12-14-46(94)15-13-44)68(110)80-37-60(98)83-55(34-45-36-79-48-11-7-6-10-47(45)48)73(115)86-52(22-31-117-2)72(114)89-56(35-62(100)101)74(116)87-53(66(78)108)32-43-8-4-3-5-9-43/h3-15,36,42,49-56,79,94H,16-35,37-41H2,1-2H3,(H2,75,95)(H2,76,96)(H2,77,97)(H2,78,108)(H,80,110)(H,81,111)(H,82,99)(H,83,98)(H,84,113)(H,85,112)(H,86,115)(H,87,116)(H,88,109)(H,89,114)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t42-,49+,50+,51+,52-,53-,54-,55-,56-/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	3.60	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)	BDBM50348753 (CHEMBL1806528) 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)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=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/C74H103N19O23S/c1-42(81-69(111)50(17-20-58(76)96)84-71(113)51(18-21-59(77)97)85-70(112)49(16-19-57(75)95)82-61(99)38-90-23-25-91(39-63(102)103)27-29-93(41-65(106)107)30-28-92(26-24-90)40-64(104)105)67(109)88-54(33-44-12-14-46(94)15-13-44)68(110)80-37-60(98)83-55(34-45-36-79-48-11-7-6-10-47(45)48)73(115)86-52(22-31-117-2)72(114)89-56(35-62(100)101)74(116)87-53(66(78)108)32-43-8-4-3-5-9-43/h3-15,36,42,49-56,79,94H,16-35,37-41H2,1-2H3,(H2,75,95)(H2,76,96)(H2,77,97)(H2,78,108)(H,80,110)(H,81,111)(H,82,99)(H,83,98)(H,84,113)(H,85,112)(H,86,115)(H,87,116)(H,88,109)(H,89,114)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t42-,49+,50+,51+,52-,53-,54-,55-,56-/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	0.270	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