Compile Data Set for Download or QSAR

Found 1919 hits with Last Name = 'murray' and Initial = 'wv'   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088398 (2-(4-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H36N4O5/c1-22(2)41-29-8-5-4-7-28(29)35-19-17-34(18-20-35)16-6-15-33-30(37)23-9-14-26-27(21-23)32(39)36(31(26)38)24-10-12-25(40-3)13-11-24/h4-5,7-14,21-22H,6,15-20H2,1-3H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088405 (1,3-Dioxo-2-p-tolyl-2,3-dihydro-1H-isoindole-5-car...) Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C32H36N4O4/c1-22(2)40-29-8-5-4-7-28(29)35-19-17-34(18-20-35)16-6-15-33-30(37)24-11-14-26-27(21-24)32(39)36(31(26)38)25-12-9-23(3)10-13-25/h4-5,7-14,21-22H,6,15-20H2,1-3H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088389 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O4/c1-23(2)42-30-9-6-5-8-29(30)37-20-18-36(19-21-37)17-7-16-34-31(39)24-10-15-27-28(22-24)33(41)38(32(27)40)26-13-11-25(12-14-26)35(3)4/h5-6,8-15,22-23H,7,16-21H2,1-4H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1D adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088409 (2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1 Show InChI InChI=1S/C31H34N4O5/c1-21(2)40-28-7-4-3-6-27(28)34-18-16-33(17-19-34)15-5-14-32-29(37)22-8-13-25-26(20-22)31(39)35(30(25)38)23-9-11-24(36)12-10-23/h3-4,6-13,20-21,36H,5,14-19H2,1-2H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50116208 (1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 Show InChI InChI=1S/C23H31N3O2S/c1-18(2)28-22-7-4-3-6-21(22)25-12-10-24(11-13-25)16-20-14-19(17-29-20)15-26-9-5-8-23(26)27/h3-4,6-7,14,17-18H,5,8-13,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088418 (2-(4-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@H](O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H36N4O6/c1-21(2)42-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-24(37)19-33-30(38)22-8-13-26-27(18-22)32(40)36(31(26)39)23-9-11-25(41-3)12-10-23/h4-13,18,21,24,37H,14-17,19-20H2,1-3H3,(H,33,38)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Dopamine receptor D3 was determined using [3H]-spiperone as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088416 (1,3-Dioxo-2-p-tolyl-2,3-dihydro-1H-isoindole-5-car...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C32H36N4O5/c1-21(2)41-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-25(37)19-33-30(38)23-10-13-26-27(18-23)32(40)36(31(26)39)24-11-8-22(3)9-12-24/h4-13,18,21,25,37H,14-17,19-20H2,1-3H3,(H,33,38)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50029275 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088394 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50160855 (1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...) Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11551 ((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...) Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r| Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088397 (2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1 Show InChI InChI=1S/C31H33FN4O4/c1-21(2)40-28-10-4-3-9-27(28)35-17-15-34(16-18-35)14-6-13-33-29(37)22-11-12-25-26(19-22)31(39)36(30(25)38)24-8-5-7-23(32)20-24/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088414 (2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1 Show InChI InChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50116204 (1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-13-11-25(12-14-26)17-21-15-20(18-30-21)16-27-10-6-5-9-24(27)28/h3-4,7-8,15,18-19H,5-6,9-14,16-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088706 (CHEMBL12062 | N-{3-[4-(2-Isopropoxy-phenyl)-pipera...) Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 Show InChI InChI=1S/C23H36N4O3/c1-19(2)30-21-9-4-3-8-20(21)26-16-14-25(15-17-26)12-7-11-24-22(28)18-27-13-6-5-10-23(27)29/h3-4,8-9,19H,5-7,10-18H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity for human Alpha-1A adrenergic receptor expressed in COS cell membranes				Bioorg Med Chem Lett 10: 1093-6 (2000) BindingDB Entry DOI: 10.7270/Q21N80CF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088419 (1,3-Dioxo-2-p-tolyl-2,3-dihydro-1H-isoindole-5-car...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1 Show InChI InChI=1S/C32H36N4O5/c1-21(2)41-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-25(37)19-33-30(38)23-10-13-26-27(18-23)32(40)36(31(26)39)24-11-8-22(3)9-12-24/h4-13,18,21,25,37H,14-17,19-20H2,1-3H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50160855 (1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...) Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088417 (2-(3-Chloro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(Cl)c2)CC1 Show InChI InChI=1S/C31H33ClN4O5/c1-20(2)41-28-9-4-3-8-27(28)35-14-12-34(13-15-35)19-24(37)18-33-29(38)21-10-11-25-26(16-21)31(40)36(30(25)39)23-7-5-6-22(32)17-23/h3-11,16-17,20,24,37H,12-15,18-19H2,1-2H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088401 (2-(4-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H36N4O6/c1-21(2)42-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-24(37)19-33-30(38)22-8-13-26-27(18-22)32(40)36(31(26)39)23-9-11-25(41-3)12-10-23/h4-13,18,21,24,37H,14-17,19-20H2,1-3H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Compound at 1 microM was tested for the inhibition of radioligand [3H]-8-OH-DPAT binding t...				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088395 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088404 (2-(4-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1 Show InChI InChI=1S/C31H34N4O6/c1-20(2)41-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(36)11-9-22/h3-12,17,20,24,36-37H,13-16,18-19H2,1-2H3,(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088390 (1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carb...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)CC1 Show InChI InChI=1S/C31H34N4O5/c1-21(2)40-28-11-7-6-10-27(28)34-16-14-33(15-17-34)20-24(36)19-32-29(37)22-12-13-25-26(18-22)31(39)35(30(25)38)23-8-4-3-5-9-23/h3-13,18,21,24,36H,14-17,19-20H2,1-2H3,(H,32,37)	PDB Reactome pathway 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
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11551 ((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...) Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r| Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50116936 (1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 Show InChI InChI=1S/C22H30N4O2S/c1-17(2)28-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-29-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3	PDB Reactome pathway 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
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088403 (1,3-Dioxo-2-m-tolyl-2,3-dihydro-1H-isoindole-5-car...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(C)c2)CC1 Show InChI InChI=1S/C32H36N4O5/c1-21(2)41-29-10-5-4-9-28(29)35-15-13-34(14-16-35)20-25(37)19-33-30(38)23-11-12-26-27(18-23)32(40)36(31(26)39)24-8-6-7-22(3)17-24/h4-12,17-18,21,25,37H,13-16,19-20H2,1-3H3,(H,33,38)	PDB Reactome pathway 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
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088402 (2-(4-Chloro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C31H33ClN4O5/c1-20(2)41-28-6-4-3-5-27(28)35-15-13-34(14-16-35)19-24(37)18-33-29(38)21-7-12-25-26(17-21)31(40)36(30(25)39)23-10-8-22(32)9-11-23/h3-12,17,20,24,37H,13-16,18-19H2,1-2H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088400 (2-(3,4-Dimethoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-...) Show SMILES COc1ccc(cc1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C33H38N4O7/c1-21(2)44-28-8-6-5-7-27(28)36-15-13-35(14-16-36)20-24(38)19-34-31(39)22-9-11-25-26(17-22)33(41)37(32(25)40)23-10-12-29(42-3)30(18-23)43-4/h5-12,17-18,21,24,38H,13-16,19-20H2,1-4H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50160855 (1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...) Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088411 (2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1 Show InChI InChI=1S/C31H33FN4O5/c1-20(2)41-28-9-4-3-8-27(28)35-14-12-34(13-15-35)19-24(37)18-33-29(38)21-10-11-25-26(16-21)31(40)36(30(25)39)23-7-5-6-22(32)17-23/h3-11,16-17,20,24,37H,12-15,18-19H2,1-2H3,(H,33,38)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50116940 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 Show InChI InChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088412 (2-(3,4-Dichloro-phenyl)-1,3-dioxo-2,3-dihydro-1H-i...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C31H32Cl2N4O5/c1-19(2)42-28-6-4-3-5-27(28)36-13-11-35(12-14-36)18-22(38)17-34-29(39)20-7-9-23-24(15-20)31(41)37(30(23)40)21-8-10-25(32)26(33)16-21/h3-10,15-16,19,22,38H,11-14,17-18H2,1-2H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50116928 (1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 Show InChI InChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3	PDB Reactome pathway 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
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11551 ((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...) Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r| Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 18: 1140-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.129 BindingDB Entry DOI: 10.7270/Q2BP02JM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088391 (1,3-Dioxo-2-(3,4,5-trimethoxy-phenyl)-2,3-dihydro-...) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C34H40N4O8/c1-21(2)46-28-9-7-6-8-27(28)37-14-12-36(13-15-37)20-24(39)19-35-32(40)22-10-11-25-26(16-22)34(42)38(33(25)41)23-17-29(43-3)31(45-5)30(18-23)44-4/h6-11,16-18,21,24,39H,12-15,19-20H2,1-5H3,(H,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088408 (2-(2-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H36N4O6/c1-21(2)42-29-11-7-4-8-26(29)35-16-14-34(15-17-35)20-23(37)19-33-30(38)22-12-13-24-25(18-22)32(40)36(31(24)39)27-9-5-6-10-28(27)41-3/h4-13,18,21,23,37H,14-17,19-20H2,1-3H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088415 (2-(4-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C31H33FN4O5/c1-20(2)41-28-6-4-3-5-27(28)35-15-13-34(14-16-35)19-24(37)18-33-29(38)21-7-12-25-26(17-21)31(40)36(30(25)39)23-10-8-22(32)9-11-23/h3-12,17,20,24,37H,13-16,18-19H2,1-2H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088407 (2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1 Show InChI InChI=1S/C31H33FN4O5/c1-20(2)41-28-9-4-3-8-27(28)35-14-12-34(13-15-35)19-24(37)18-33-29(38)21-10-11-25-26(16-21)31(40)36(30(25)39)23-7-5-6-22(32)17-23/h3-11,16-17,20,24,37H,12-15,18-19H2,1-2H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088396 (2-(4-Nitro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoind...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C31H33N5O7/c1-20(2)43-28-6-4-3-5-27(28)34-15-13-33(14-16-34)19-24(37)18-32-29(38)21-7-12-25-26(17-21)31(40)35(30(25)39)22-8-10-23(11-9-22)36(41)42/h3-12,17,20,24,37H,13-16,18-19H2,1-2H3,(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50116209 (1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-24-9-6-5-8-23(24)27-14-12-26(13-15-27)18-22-16-21(19-31-22)17-28-11-7-3-4-10-25(28)29/h5-6,8-9,16,19-20H,3-4,7,10-15,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50060964 ((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...) Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1B adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088393 (2-(4-Methoxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoi...) Show SMILES COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@@H](O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C32H36N4O6/c1-21(2)42-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-24(37)19-33-30(38)22-8-13-26-27(18-22)32(40)36(31(26)39)23-9-11-25(41-3)12-10-23/h4-13,18,21,24,37H,14-17,19-20H2,1-3H3,(H,33,38)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50093214 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 Show InChI InChI=1S/C23H33N5O2/c1-18(2)30-22-8-4-3-7-21(22)27-13-11-26(12-14-27)16-19-15-20(25-24-19)17-28-10-6-5-9-23(28)29/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to COS cell membrane expressing the human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 2375-7 (2001) BindingDB Entry DOI: 10.7270/Q2D50M66
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088410 (2-(4-tert-Butyl-phenyl)-1,3-dioxo-2,3-dihydro-1H-i...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)C(C)(C)C)CC1 Show InChI InChI=1S/C35H42N4O5/c1-23(2)44-31-9-7-6-8-30(31)38-18-16-37(17-19-38)22-27(40)21-36-32(41)24-10-15-28-29(20-24)34(43)39(33(28)42)26-13-11-25(12-14-26)35(3,4)5/h6-15,20,23,27,40H,16-19,21-22H2,1-5H3,(H,36,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50093213 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 Show InChI InChI=1S/C24H35N5O2/c1-19(2)31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)17-20-16-21(26(3)25-20)18-29-11-7-6-10-24(29)30/h4-5,8-9,16,19H,6-7,10-15,17-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to COS cell membrane expressing the human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 2375-7 (2001) BindingDB Entry DOI: 10.7270/Q2D50M66
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50093215 (1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 Show InChI InChI=1S/C23H32N4O3/c1-18(2)29-22-8-4-3-7-21(22)26-13-11-25(12-14-26)16-19-15-20(30-24-19)17-27-10-6-5-9-23(27)28/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to COS cell membrane expressing the human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 2375-7 (2001) BindingDB Entry DOI: 10.7270/Q2D50M66
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50088392 (2-(3-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoin...) Show SMILES CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1 Show InChI InChI=1S/C30H31FN4O5/c1-2-40-27-9-4-3-8-26(27)34-14-12-33(13-15-34)19-23(36)18-32-28(37)20-10-11-24-25(16-20)30(39)35(29(24)38)22-7-5-6-21(31)17-22/h3-11,16-17,23,36H,2,12-15,18-19H2,1H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair

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