Compile Data Set for Download or QSAR

Found 41 hits of ic50 data for polymerid = 49000182   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adrenaline alpha1 (RAT)	BDBM50420181 (CHEMBL2074704) Show SMILES CCCCC[N+](CCCCC)(CCCCC)CCCCC Show InChI InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.1 uM) in OCT1-expressing HEK293 cells				Mol Pharmacol 56: 1254-61 (1999) Article DOI: 10.1124/mol.56.6.1254 BindingDB Entry DOI: 10.7270/Q2M90CJ1
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420192 (CHEMBL2074851) Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420192 (CHEMBL2074851) Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420192 (CHEMBL2074851) Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50367247 (QUININE | Quinamm | Quinsan | cid_3034034) Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50367247 (QUININE | Quinamm | Quinsan | cid_3034034) Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420181 (CHEMBL2074704) Show SMILES CCCCC[N+](CCCCC)(CCCCC)CCCCC Show InChI InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50416487 (CHEMBL1236196 | TETRABUTYLAMMONIUM) Show SMILES CCCC[N+](CCCC)(CCCC)CCCC Show InChI InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Mol Pharmacol 56: 1254-61 (1999) Article DOI: 10.1124/mol.56.6.1254 BindingDB Entry DOI: 10.7270/Q2M90CJ1
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50367247 (QUININE | Quinamm | Quinsan | cid_3034034) Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM39344 (4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...) Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420216 (MEPIPERPHENIDOL BROMIDE) Show SMILES CC(C)C(C(O)CC[N+]1(C)CCCCC1)c1ccccc1 Show InChI InChI=1S/C19H32NO/c1-16(2)19(17-10-6-4-7-11-17)18(21)12-15-20(3)13-8-5-9-14-20/h4,6-7,10-11,16,18-19,21H,5,8-9,12-15H2,1-3H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM39344 (4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...) Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes				Drug Metab Dispos 33: 495-9 (2005) Article DOI: 10.1124/dmd.104.002519 BindingDB Entry DOI: 10.7270/Q24B32KW
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50416487 (CHEMBL1236196 | TETRABUTYLAMMONIUM) Show SMILES CCCC[N+](CCCC)(CCCC)CCCC Show InChI InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50213021 (CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells				Drug Metab Dispos 28: 329-34 (2000) BindingDB Entry DOI: 10.7270/Q2DF6V3S
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50151860 (4-Acetylamino-N-(2-diethylamino-ethyl)-benzamide |...) Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420179 (CHEMBL2074857) Show SMILES CCC[N+](CCC)(CCC)CCC Show InChI InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM39344 (4-amino-N-[2-(diethylamino)ethyl]benzamide;hydroch...) Show SMILES CCN(CC)CCNC(=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50017681 ((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...) Show SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1 Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM35938 (1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...) Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50061306 ((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells				Drug Metab Dispos 28: 329-34 (2000) BindingDB Entry DOI: 10.7270/Q2DF6V3S
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420179 (CHEMBL2074857) Show SMILES CCC[N+](CCC)(CCC)CCC Show InChI InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50017674 ((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...) Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420217 (METIPRENALINE) Show SMILES COc1cc(ccc1O)C(O)CNC(C)C Show InChI InChI=1S/C12H19NO3/c1-8(2)13-7-11(15)9-4-5-10(14)12(6-9)16-3/h4-6,8,11,13-15H,7H2,1-3H3	Reactome pathway UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50067593 (CHEBI:44032 | Crixivan | INDINAVIR | Indinavir | L...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells				Drug Metab Dispos 28: 329-34 (2000) BindingDB Entry DOI: 10.7270/Q2DF6V3S
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50033369 (AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL) Show SMILES NC12CC3CC(CC(C3)C1)C2 Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes				Drug Metab Dispos 33: 495-9 (2005) Article DOI: 10.1124/dmd.104.002519 BindingDB Entry DOI: 10.7270/Q24B32KW
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420192 (CHEMBL2074851) Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Amantadine uptake (in the presence of bicarbonate) (Amantadine: 10 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes				Drug Metab Dispos 33: 495-9 (2005) Article DOI: 10.1124/dmd.104.002519 BindingDB Entry DOI: 10.7270/Q24B32KW
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420192 (CHEMBL2074851) Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Amantadine uptake (in the presence of bicarbonate) (Amantadine: 10 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50033369 (AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL) Show SMILES NC12CC3CC(CC(C3)C1)C2 Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50403559 (Brumetadina | CIMETIDINE) Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytes				Biochim Biophys Acta 1417: 224-31 (1999) Article DOI: 10.1016/s0005-2736(99)00005-x BindingDB Entry DOI: 10.7270/Q2WS8VJ5
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50026220 (2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...) Show SMILES C[N+](C)(C)CCO Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytes				Biochim Biophys Acta 1417: 224-31 (1999) Article DOI: 10.1016/s0005-2736(99)00005-x BindingDB Entry DOI: 10.7270/Q2WS8VJ5
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50033369 (AMANTADINE | CHEMBL660 | SYMADINE | SYMMETREL) Show SMILES NC12CC3CC(CC(C3)C1)C2 Show InChI InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells				J Pharmacol Exp Ther 303: 959-68 (2002) Article DOI: 10.1124/jpet.102.038885 BindingDB Entry DOI: 10.7270/Q28W3FTB
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50303766 (2-oxoglutaric acid | 2-oxopentanedioic acid | CHEM...) Show SMILES OC(=O)CCC(=O)C(O)=O Show InChI InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50079455 (CHEMBL46486 | TETRAMETHYLAMMONIUM | tetramethylamm...) Show SMILES C[N+](C)(C)C Show InChI InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.14E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50270006 (2-(4-aminobenzamido)acetate | AMINOHIPPURATE) Show SMILES Nc1ccc(cc1)C(=O)NCC([O-])=O Show InChI InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)/p-1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50026220 (2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...) Show SMILES C[N+](C)(C)CCO Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.45E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) Article DOI: 10.1023/a:1013070128668 BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50206509 (4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.64E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Adrenaline alpha1 (RAT)	BDBM50420178 (GUANIDINE) Show SMILES NC(N)=N Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.47E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair