Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'giovanni' and Initial = 'a'   

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))	BDBM50429069 (CHEMBL2335736) Show SMILES COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-28-19-10-13-6-8-25-9-7-20(27,12-17(25)16(13)11-18(19)26)14-2-4-15(5-3-14)29-21(22,23)24/h2-5,10-11,17,26-27H,6-9,12H2,1H3/t17-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429068 (CHEMBL2335740) Show SMILES COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-13-6-8-22-9-7-20(24,14-2-4-15(21)5-3-14)12-17(22)16(13)11-18(19)23/h2-5,10-11,17,23-24H,6-9,12H2,1H3/t17-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429069 (CHEMBL2335736) Show SMILES COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-28-19-10-13-6-8-25-9-7-20(27,12-17(25)16(13)11-18(19)26)14-2-4-15(5-3-14)29-21(22,23)24/h2-5,10-11,17,26-27H,6-9,12H2,1H3/t17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429067 (CHEMBL2335737) Show SMILES Cc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429067 (CHEMBL2335737) Show SMILES Cc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429068 (CHEMBL2335740) Show SMILES COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-13-6-8-22-9-7-20(24,14-2-4-15(21)5-3-14)12-17(22)16(13)11-18(19)23/h2-5,10-11,17,23-24H,6-9,12H2,1H3/t17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429065 (CHEMBL2331599) Show SMILES Cc1cc2CCN3CC[C@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429066 (CHEMBL2335741) Show SMILES COc1cc2CCN3CC[C@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-13-6-8-22-9-7-20(24,14-2-4-15(21)5-3-14)12-17(22)16(13)11-18(19)23/h2-5,10-11,17,23-24H,6-9,12H2,1H3/t17-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429065 (CHEMBL2331599) Show SMILES Cc1cc2CCN3CC[C@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429064 (CHEMBL2335738) Show SMILES COc1ccc2[C@H]3C[C@](O)(CCN3CCc2c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-24-17-6-7-18-14(12-17)8-10-22-11-9-20(23,13-19(18)22)15-2-4-16(21)5-3-15/h2-7,12,19,23H,8-11,13H2,1H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429066 (CHEMBL2335741) Show SMILES COc1cc2CCN3CC[C@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-13-6-8-22-9-7-20(24,14-2-4-15(21)5-3-14)12-17(22)16(13)11-18(19)23/h2-5,10-11,17,23-24H,6-9,12H2,1H3/t17-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429064 (CHEMBL2335738) Show SMILES COc1ccc2[C@H]3C[C@](O)(CCN3CCc2c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-24-17-6-7-18-14(12-17)8-10-22-11-9-20(23,13-19(18)22)15-2-4-16(21)5-3-15/h2-7,12,19,23H,8-11,13H2,1H3/t19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429063 (CHEMBL2335739) Show SMILES COc1ccc2[C@H]3C[C@@](O)(CCN3CCc2c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-24-17-6-7-18-14(12-17)8-10-22-11-9-20(23,13-19(18)22)15-2-4-16(21)5-3-15/h2-7,12,19,23H,8-11,13H2,1H3/t19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429063 (CHEMBL2335739) Show SMILES COc1ccc2[C@H]3C[C@@](O)(CCN3CCc2c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-24-17-6-7-18-14(12-17)8-10-22-11-9-20(23,13-19(18)22)15-2-4-16(21)5-3-15/h2-7,12,19,23H,8-11,13H2,1H3/t19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429069 (CHEMBL2335736) Show SMILES COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-28-19-10-13-6-8-25-9-7-20(27,12-17(25)16(13)11-18(19)26)14-2-4-15(5-3-14)29-21(22,23)24/h2-5,10-11,17,26-27H,6-9,12H2,1H3/t17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor (unknown origin) transfected in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP le...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429065 (CHEMBL2331599) Show SMILES Cc1cc2CCN3CC[C@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor (unknown origin) transfected in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP le...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429067 (CHEMBL2335737) Show SMILES Cc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor (unknown origin) transfected in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP le...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429066 (CHEMBL2335741) Show SMILES COc1cc2CCN3CC[C@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-13-6-8-22-9-7-20(24,14-2-4-15(21)5-3-14)12-17(22)16(13)11-18(19)23/h2-5,10-11,17,23-24H,6-9,12H2,1H3/t17-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor (unknown origin) transfected in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP le...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50429069 (CHEMBL2335736) Show SMILES COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-28-19-10-13-6-8-25-9-7-20(27,12-17(25)16(13)11-18(19)26)14-2-4-15(5-3-14)29-21(22,23)24/h2-5,10-11,17,26-27H,6-9,12H2,1H3/t17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50429064 (CHEMBL2335738) Show SMILES COc1ccc2[C@H]3C[C@](O)(CCN3CCc2c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-24-17-6-7-18-14(12-17)8-10-22-11-9-20(23,13-19(18)22)15-2-4-16(21)5-3-15/h2-7,12,19,23H,8-11,13H2,1H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor (unknown origin) transfected in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP le...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
Kallikrein-6 (Homo sapiens (Human))	BDBM50386418 (CHEMBL2047313) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O |r| Show InChI InChI=1S/C28H28N4O4S2/c1-36-22-9-7-20-8-11-24(16-21(20)15-22)38(34,35)32(17-19-5-3-2-4-6-19)25-13-14-31(28(25)33)18-23-10-12-26(37-23)27(29)30/h2-12,15-16,25H,13-14,17-18H2,1H3,(H3,29,30)/t25-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...				ACS Med Chem Lett 3: 159-164 (2012) Article DOI: 10.1021/ml200291e BindingDB Entry DOI: 10.7270/Q2FN177M
					More data for this Ligand-Target Pair
Kallikrein-6 (Homo sapiens (Human))	BDBM50386416 (CHEMBL2047314) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccsc1)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C26H26N4O4S3/c1-34-21-4-2-19-3-5-22(12-20(19)11-21)37(32,33)30(14-17-7-9-35-15-17)23-6-8-29(26(23)31)13-18-10-24(25(27)28)36-16-18/h2-5,7,9-12,15-16,23H,6,8,13-14H2,1H3,(H3,27,28)/t23-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...				ACS Med Chem Lett 3: 159-164 (2012) Article DOI: 10.1021/ml200291e BindingDB Entry DOI: 10.7270/Q2FN177M
					More data for this Ligand-Target Pair
Kallikrein-6 (Homo sapiens (Human))	BDBM50080493 (5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O Show InChI InChI=1S/C21H22N4O4S2/c1-29-15-4-2-13-3-6-17(11-14(13)10-15)31(27,28)24-18-8-9-25(21(18)26)12-16-5-7-19(30-16)20(22)23/h2-7,10-11,18,24H,8-9,12H2,1H3,(H3,22,23)/t18-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...				ACS Med Chem Lett 3: 159-164 (2012) Article DOI: 10.1021/ml200291e BindingDB Entry DOI: 10.7270/Q2FN177M
					More data for this Ligand-Target Pair
Kallikrein-6 (Homo sapiens (Human))	BDBM50386417 (CHEMBL2047315) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2ccc(s2)C(N)=N)C1=O |r| Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-9-10-26(22(19)27)13-17-6-8-20(31-17)21(23)24)32(28,29)18-7-4-14-3-5-16(30-2)11-15(14)12-18/h3-8,11-12,19H,9-10,13H2,1-2H3,(H3,23,24)/t19-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...				ACS Med Chem Lett 3: 159-164 (2012) Article DOI: 10.1021/ml200291e BindingDB Entry DOI: 10.7270/Q2FN177M
					More data for this Ligand-Target Pair
Kallikrein-6 (Homo sapiens (Human))	BDBM13279 (4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r| Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...				ACS Med Chem Lett 3: 159-164 (2012) Article DOI: 10.1021/ml200291e BindingDB Entry DOI: 10.7270/Q2FN177M
					More data for this Ligand-Target Pair
Kallikrein-6 (Homo sapiens (Human))	BDBM50080492 (5-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(cs2)C(N)=N)C1=O Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-13-3-5-18(10-14(13)8-16)31(27,28)24-19-6-7-25(21(19)26)11-17-9-15(12-30-17)20(22)23/h2-5,8-10,12,19,24H,6-7,11H2,1H3,(H3,22,23)/t19-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by ...				ACS Med Chem Lett 3: 159-164 (2012) Article DOI: 10.1021/ml200291e BindingDB Entry DOI: 10.7270/Q2FN177M
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429067 (CHEMBL2335737) Show SMILES Cc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Agonist activity at dopamine D1 receptor (unknown origin) transfected in CHO cell membranes assessed as increase in cAMP level after 8 mins by flash ...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429065 (CHEMBL2331599) Show SMILES Cc1cc2CCN3CC[C@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO2/c1-13-10-14-6-8-22-9-7-20(24,15-2-4-16(21)5-3-15)12-18(22)17(14)11-19(13)23/h2-5,10-11,18,23-24H,6-9,12H2,1H3/t18-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Agonist activity at dopamine D1 receptor (unknown origin) transfected in CHO cell membranes assessed as increase in cAMP level after 8 mins by flash ...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429069 (CHEMBL2335736) Show SMILES COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-28-19-10-13-6-8-25-9-7-20(27,12-17(25)16(13)11-18(19)26)14-2-4-15(5-3-14)29-21(22,23)24/h2-5,10-11,17,26-27H,6-9,12H2,1H3/t17-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Agonist activity at dopamine D1 receptor (unknown origin) transfected in CHO cell membranes assessed as increase in cAMP level after 8 mins by flash ...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50429068 (CHEMBL2335740) Show SMILES COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-13-6-8-22-9-7-20(24,14-2-4-15(21)5-3-14)12-17(22)16(13)11-18(19)23/h2-5,10-11,17,23-24H,6-9,12H2,1H3/t17-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Agonist activity at dopamine D1 receptor (unknown origin) transfected in CHO cell membranes assessed as increase in cAMP level after 8 mins by flash ...				Bioorg Med Chem Lett 23: 1498-501 (2013) Article DOI: 10.1016/j.bmcl.2012.12.046 BindingDB Entry DOI: 10.7270/Q290255G
					More data for this Ligand-Target Pair