Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50012164   

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
Transporter (Rattus norvegicus)	BDBM31005 (2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...) Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Norepinephrin transpoter reputake sites determined using competition binding assay				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50115644 ((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...) Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21 Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Norepinephrin transpoter reputake sites determined using competition binding assay				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50115642 ((+)-65-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2,...) Show SMILES COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Norepinephrin transpoter reputake sites determined using competition binding assay				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50115643 ((+/-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro...) Show SMILES COc1cccc2Cc3ccccc3C3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Norepinephrin transpoter reputake sites determined using competition binding assay				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50115640 ((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...) Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12 Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Center for Pharmacy Curated by ChEMBL					Assay Description The binding affinity of the compound at the Norepinephrin transpoter reputake sites determined using competition binding assay				J Med Chem 45: 3280-5 (2002) BindingDB Entry DOI: 10.7270/Q28051ZZ
					More data for this Ligand-Target Pair