Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50035994   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50368313 (CHEMBL1744079) Show SMILES CN1CCc2cc(Br)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004793 (3-Allyl-8-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-ben...) Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Br)c1ccccc1 Show InChI InChI=1S/C19H20BrNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004792 (3-Allyl-8-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-be...) Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C19H20ClNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004797 (8-Bromo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...) Show SMILES Oc1cc2C(CNCCc2cc1Br)c1ccccc1 Show InChI InChI=1S/C16H16BrNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004796 (8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50368312 (CHEMBL1744078 | SCH-23982) Show SMILES CN1CCc2ccc(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H19NO/c1-18-10-9-14-7-8-15(19)11-16(14)17(12-18)13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004791 (3-Allyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...) Show SMILES Oc1ccc2CCN(CC=C)CC(c3ccccc3)c2c1 Show InChI InChI=1S/C19H21NO/c1-2-11-20-12-10-16-8-9-17(21)13-18(16)19(14-20)15-6-4-3-5-7-15/h2-9,13,19,21H,1,10-12,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004793 (3-Allyl-8-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-ben...) Show SMILES Oc1cc2C(CN(CC=C)CCc2cc1Br)c1ccccc1 Show InChI InChI=1S/C19H20BrNO/c1-2-9-21-10-8-15-11-18(20)19(22)12-16(15)17(13-21)14-6-4-3-5-7-14/h2-7,11-12,17,22H,1,8-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004794 (5-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol...) Show SMILES Oc1ccc2CCNCC(c3ccccc3)c2c1 Show InChI InChI=1S/C16H17NO/c18-14-7-6-13-8-9-17-11-16(15(13)10-14)12-4-2-1-3-5-12/h1-7,10,16-18H,8-9,11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	702	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004796 (8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 from pig anterior pituitary tissue				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004794 (5-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol...) Show SMILES Oc1ccc2CCNCC(c3ccccc3)c2c1 Show InChI InChI=1S/C16H17NO/c18-14-7-6-13-8-9-17-11-16(15(13)10-14)12-4-2-1-3-5-12/h1-7,10,16-18H,8-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50004797 (8-Bromo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...) Show SMILES Oc1cc2C(CNCCc2cc1Br)c1ccccc1 Show InChI InChI=1S/C16H16BrNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2				J Med Chem 35: 67-72 (1992) BindingDB Entry DOI: 10.7270/Q2P84CHC
					More data for this Ligand-Target Pair