Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50000520   

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 (MOUSE)	BDBM50006842 (2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-isopropox...) Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O Show InChI InChI=1S/C27H24BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...				J Med Chem 35: 2534-42 (1992) BindingDB Entry DOI: 10.7270/Q2JM28MX
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50006838 (2-[2-(1H-Indol-3-yl)-ethyl]-3-(3-isopropoxy-phenyl...) Show SMILES CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccccc23)nc2ccccc2c1=O Show InChI InChI=1S/C27H25N3O2/c1-18(2)32-21-9-7-8-20(16-21)30-26(29-25-13-6-4-11-23(25)27(30)31)15-14-19-17-28-24-12-5-3-10-22(19)24/h3-13,16-18,28H,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...				J Med Chem 35: 2534-42 (1992) BindingDB Entry DOI: 10.7270/Q2JM28MX
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50006839 (2-[2-(1H-Indol-3-yl)-propyl]-3-(3-isopropoxy-pheny...) Show SMILES CC(C)Oc1cccc(c1)-n1c(CC(C)c2c[nH]c3ccccc23)nc2ccccc2c1=O Show InChI InChI=1S/C28H27N3O2/c1-18(2)33-21-10-8-9-20(16-21)31-27(30-26-14-7-5-12-23(26)28(31)32)15-19(3)24-17-29-25-13-6-4-11-22(24)25/h4-14,16-19,29H,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...				J Med Chem 35: 2534-42 (1992) BindingDB Entry DOI: 10.7270/Q2JM28MX
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50006840 (2-[2-(1H-Indol-3-yl)-vinyl]-3-(3-isopropoxy-phenyl...) Show SMILES CC(C)Oc1cccc(c1)-n1c(\C=C\c2c[nH]c3ccccc23)nc2ccccc2c1=O Show InChI InChI=1S/C27H23N3O2/c1-18(2)32-21-9-7-8-20(16-21)30-26(29-25-13-6-4-11-23(25)27(30)31)15-14-19-17-28-24-12-5-3-10-22(19)24/h3-18,28H,1-2H3/b15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...				J Med Chem 35: 2534-42 (1992) BindingDB Entry DOI: 10.7270/Q2JM28MX
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50006837 (2-[2-(1H-Indol-3-yl)-ethyl]-3-phenyl-3H-quinazolin...) Show SMILES O=c1n(c(CCc2c[nH]c3ccccc23)nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C24H19N3O/c28-24-20-11-5-7-13-22(20)26-23(27(24)18-8-2-1-3-9-18)15-14-17-16-25-21-12-6-4-10-19(17)21/h1-13,16,25H,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...				J Med Chem 35: 2534-42 (1992) BindingDB Entry DOI: 10.7270/Q2JM28MX
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50006836 (2-[2-(5-Bromo-1H-indol-3-yl)-vinyl]-3-(3-isopropox...) Show SMILES CC(C)Oc1cccc(c1)-n1c(\C=C\c2c[nH]c3ccc(Br)cc23)nc2ccccc2c1=O Show InChI InChI=1S/C27H22BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-17,29H,1-2H3/b13-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...				J Med Chem 35: 2534-42 (1992) BindingDB Entry DOI: 10.7270/Q2JM28MX
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50006841 (2-[2-(1H-Indol-3-yl)-1-methyl-ethyl]-3-(3-isopropo...) Show SMILES CC(C)Oc1cccc(c1)-n1c(nc2ccccc2c1=O)C(C)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H27N3O2/c1-18(2)33-22-10-8-9-21(16-22)31-27(30-26-14-7-5-12-24(26)28(31)32)19(3)15-20-17-29-25-13-6-4-11-23(20)25/h4-14,16-19,29H,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Evaluated for inhibition of [125I]-CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 microM (in vi...				J Med Chem 35: 2534-42 (1992) BindingDB Entry DOI: 10.7270/Q2JM28MX
					More data for this Ligand-Target Pair