Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50004697   

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
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19| Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50420192 (CHEMBL2074851) Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6| 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM81945 (CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...) Show SMILES C[n+]1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50367247 (QUININE | Quinamm | Quinsan | cid_3034034) Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |THB:20:19:12.13:16.15,10:12:19.18:16.15| 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50079455 (CHEMBL46486 | tetramethylammonium) Show SMILES C[N+](C)(C)C Show InChI InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50420177 (NICOTINYL METHYLAMIDE) Show SMILES CNC(=O)c1cccnc1 Show InChI InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.66E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anatomisches Institut der Bayerischen Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				DNA Cell Biol 16: 871-81 (1997) Article DOI: 10.1089/dna.1997.16.871 BindingDB Entry DOI: 10.7270/Q2R2148R
					More data for this Ligand-Target Pair