Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'lorenz' and Initial = 'w'   

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 (Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM81444 (CAS_185453 | NSC_185453 | WB 4101 | WB-4101) Show SMILES COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1 Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81444 (CAS_185453 | NSC_185453 | WB 4101 | WB-4101) Show SMILES COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1 Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	15.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM81444 (CAS_185453 | NSC_185453 | WB 4101 | WB-4101) Show SMILES COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1 Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	28.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM35234 (DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...) Show SMILES NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM30712 (6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...) Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50033113 (CHEMBL279516 | INDORAMIN | INDORAMINE | INDORAMINN...) Show SMILES O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1 Show InChI InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM31046 (3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...) Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10| Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	517	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM84342 (4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...) Show SMILES CNCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	546	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50033113 (CHEMBL279516 | INDORAMIN | INDORAMINE | INDORAMINN...) Show SMILES O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1 Show InChI InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	611	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM30712 (6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...) Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	824	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM36024 ((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...) Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1 Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50026777 (2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol | 2-A...) Show SMILES COc1ccc(OC)c(c1)C(O)C(C)N Show InChI InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM30712 (6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...) Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11| Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM84342 (4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...) Show SMILES CNCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM84342 (4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...) Show SMILES CNCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A adrenergic receptor (CALF)	BDBM35234 (DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...) Show SMILES NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	9.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM36024 ((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...) Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1 Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026777 (2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol | 2-A...) Show SMILES COc1ccc(OC)c(c1)C(O)C(C)N Show InChI InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM36024 ((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...) Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1 Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM35234 (DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...) Show SMILES NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50026777 (2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol | 2-A...) Show SMILES COc1ccc(OC)c(c1)C(O)C(C)N Show InChI InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM84342 (4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...) Show SMILES CNCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									J Biol Chem 266: 6365-9 (1991) BindingDB Entry DOI: 10.7270/Q2X928SG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50542676 (CHEMBL4633668) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
University of Halle-Wittenberg Curated by ChEMBL					Assay Description Substrate activity at OATP1B3 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay				J Nat Prod 83: 1960-1970 (2020) Article DOI: 10.1021/acs.jnatprod.0c00251 BindingDB Entry DOI: 10.7270/Q23R0XF4
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50542677 (CHEMBL4637446) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCC#C)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C55H74N10O13/c1-10-27-78-39-21-19-38(20-22-39)29-43-52(72)64-46(54(75)76)34(5)48(68)61-41(17-14-26-58-55(56)57)51(71)60-40(23-18-31(2)28-32(3)44(77-9)30-37-15-12-11-13-16-37)33(4)47(67)62-42(53(73)74)24-25-45(66)65(8)36(7)50(70)59-35(6)49(69)63-43/h1,11-13,15-16,18-23,28,32-35,40-44,46H,7,14,17,24-27,29-30H2,2-6,8-9H3,(H,59,70)(H,60,71)(H,61,68)(H,62,67)(H,63,69)(H,64,72)(H,73,74)(H,75,76)(H4,56,57,58)/b23-18+,31-28+/t32-,33-,34-,35+,40-,41-,42+,43-,44-,46+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
University of Halle-Wittenberg Curated by ChEMBL					Assay Description Substrate activity at OATP1B3 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay				J Nat Prod 83: 1960-1970 (2020) Article DOI: 10.1021/acs.jnatprod.0c00251 BindingDB Entry DOI: 10.7270/Q23R0XF4
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50542678 (CHEMBL4636474) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCc3cn(nn3)-c3cc4ccc(O)cc4oc3=O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C64H79N13O16/c1-34(27-35(2)51(91-8)29-40-13-10-9-11-14-40)16-23-46-36(3)55(80)71-48(61(86)87)24-25-53(79)76(7)39(6)58(83)68-38(5)57(82)72-49(60(85)73-54(62(88)89)37(4)56(81)70-47(59(84)69-46)15-12-26-67-64(65)66)28-41-17-21-45(22-18-41)92-33-43-32-77(75-74-43)50-30-42-19-20-44(78)31-52(42)93-63(50)90/h9-11,13-14,16-23,27,30-32,35-38,46-49,51,54,78H,6,12,15,24-26,28-29,33H2,1-5,7-8H3,(H,68,83)(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,85)(H,86,87)(H,88,89)(H4,65,66,67)/b23-16+,34-27+/t35-,36-,37-,38+,46-,47-,48+,49-,51-,54+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
University of Halle-Wittenberg Curated by ChEMBL					Assay Description Substrate activity at OATP1B3 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay				J Nat Prod 83: 1960-1970 (2020) Article DOI: 10.1021/acs.jnatprod.0c00251 BindingDB Entry DOI: 10.7270/Q23R0XF4
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50542676 (CHEMBL4633668) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	n/a
University of Halle-Wittenberg Curated by ChEMBL					Assay Description Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay				J Nat Prod 83: 1960-1970 (2020) Article DOI: 10.1021/acs.jnatprod.0c00251 BindingDB Entry DOI: 10.7270/Q23R0XF4
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50542677 (CHEMBL4637446) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCC#C)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C55H74N10O13/c1-10-27-78-39-21-19-38(20-22-39)29-43-52(72)64-46(54(75)76)34(5)48(68)61-41(17-14-26-58-55(56)57)51(71)60-40(23-18-31(2)28-32(3)44(77-9)30-37-15-12-11-13-16-37)33(4)47(67)62-42(53(73)74)24-25-45(66)65(8)36(7)50(70)59-35(6)49(69)63-43/h1,11-13,15-16,18-23,28,32-35,40-44,46H,7,14,17,24-27,29-30H2,2-6,8-9H3,(H,59,70)(H,60,71)(H,61,68)(H,62,67)(H,63,69)(H,64,72)(H,73,74)(H,75,76)(H4,56,57,58)/b23-18+,31-28+/t32-,33-,34-,35+,40-,41-,42+,43-,44-,46+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
University of Halle-Wittenberg Curated by ChEMBL					Assay Description Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay				J Nat Prod 83: 1960-1970 (2020) Article DOI: 10.1021/acs.jnatprod.0c00251 BindingDB Entry DOI: 10.7270/Q23R0XF4
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50542678 (CHEMBL4636474) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(OCc3cn(nn3)-c3cc4ccc(O)cc4oc3=O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C64H79N13O16/c1-34(27-35(2)51(91-8)29-40-13-10-9-11-14-40)16-23-46-36(3)55(80)71-48(61(86)87)24-25-53(79)76(7)39(6)58(83)68-38(5)57(82)72-49(60(85)73-54(62(88)89)37(4)56(81)70-47(59(84)69-46)15-12-26-67-64(65)66)28-41-17-21-45(22-18-41)92-33-43-32-77(75-74-43)50-30-42-19-20-44(78)31-52(42)93-63(50)90/h9-11,13-14,16-23,27,30-32,35-38,46-49,51,54,78H,6,12,15,24-26,28-29,33H2,1-5,7-8H3,(H,68,83)(H,69,84)(H,70,81)(H,71,80)(H,72,82)(H,73,85)(H,86,87)(H,88,89)(H4,65,66,67)/b23-16+,34-27+/t35-,36-,37-,38+,46-,47-,48+,49-,51-,54+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
University of Halle-Wittenberg Curated by ChEMBL					Assay Description Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay				J Nat Prod 83: 1960-1970 (2020) Article DOI: 10.1021/acs.jnatprod.0c00251 BindingDB Entry DOI: 10.7270/Q23R0XF4
					More data for this Ligand-Target Pair