Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50001618   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010696 ((R)-2-Bromo-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...) Show SMILES CN1CCc2cc(Br)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H16BrNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	728	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as low affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50016786 ((R)-2-Fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-diben...) Show SMILES CN1CCc2cc(F)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H16FNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at dopamine receptor in porcine anterior pituitary gland as high affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010698 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO3/c1-18-5-4-10-6-11(19)8-12-15(10)13(18)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,19-21H,4-5,7H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50010696 ((R)-2-Bromo-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...) Show SMILES CN1CCc2cc(Br)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H16BrNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50016786 ((R)-2-Fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-diben...) Show SMILES CN1CCc2cc(F)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H16FNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as low affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50016785 ((R)-2-Amino-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...) Show SMILES CN1CCc2cc(N)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H18N2O2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7,18H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as low affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50016785 ((R)-2-Amino-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...) Show SMILES CN1CCc2cc(N)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H18N2O2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7,18H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state				J Med Chem 32: 1198-201 (1989) BindingDB Entry DOI: 10.7270/Q2Q23Z7P
					More data for this Ligand-Target Pair