Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50517380'   

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
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50517380 (CHEMBL4464703) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C82H122N12O22/c1-4-5-29-64(80(109)94(3)68(52-76(104)105)81(110)93(2)67(77(83)106)49-57-26-19-18-20-27-57)92-79(108)66(51-59-53-87-62-30-24-23-28-61(59)62)91-72(99)54-88-78(107)63(89-71(98)50-58-34-36-60(95)37-35-58)31-25-40-84-73(100)55-115-47-46-114-44-42-86-74(101)56-116-48-45-113-43-41-85-69(96)39-38-65(82(111)112)90-70(97)32-21-16-14-12-10-8-6-7-9-11-13-15-17-22-33-75(102)103/h18-20,23-24,26-28,30,34-37,53,63-68,87,95H,4-17,21-22,25,29,31-33,38-52,54-56H2,1-3H3,(H2,83,106)(H,84,100)(H,85,96)(H,86,101)(H,88,107)(H,89,98)(H,90,97)(H,91,99)(H,92,108)(H,102,103)(H,104,105)(H,111,112)/t63-,64+,65+,66+,67+,68-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay				J Med Chem 62: 1407-1419 (2019) Article DOI: 10.1021/acs.jmedchem.8b01558 BindingDB Entry DOI: 10.7270/Q2K64NF5
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50517380 (CHEMBL4464703) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C82H122N12O22/c1-4-5-29-64(80(109)94(3)68(52-76(104)105)81(110)93(2)67(77(83)106)49-57-26-19-18-20-27-57)92-79(108)66(51-59-53-87-62-30-24-23-28-61(59)62)91-72(99)54-88-78(107)63(89-71(98)50-58-34-36-60(95)37-35-58)31-25-40-84-73(100)55-115-47-46-114-44-42-86-74(101)56-116-48-45-113-43-41-85-69(96)39-38-65(82(111)112)90-70(97)32-21-16-14-12-10-8-6-7-9-11-13-15-17-22-33-75(102)103/h18-20,23-24,26-28,30,34-37,53,63-68,87,95H,4-17,21-22,25,29,31-33,38-52,54-56H2,1-3H3,(H2,83,106)(H,84,100)(H,85,96)(H,86,101)(H,88,107)(H,89,98)(H,90,97)(H,91,99)(H,92,108)(H,102,103)(H,104,105)(H,111,112)/t63-,64+,65+,66+,67+,68-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0603	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human CCK1R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay				J Med Chem 62: 1407-1419 (2019) Article DOI: 10.1021/acs.jmedchem.8b01558 BindingDB Entry DOI: 10.7270/Q2K64NF5
					More data for this Ligand-Target Pair