Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'sheng' and Initial = 'k'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50409510 (CHEMBL308480) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12-10-18)15-16-13-19-3-1-2-4-21(19)22(26)14-16/h1-8,16,18H,9-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50223744 (CHEMBL155486) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3ccccc3C2)CC1 Show InChI InChI=1S/C23H23FN2O2/c24-18-5-6-20-22(13-18)28-25-23(20)16-7-9-26(10-8-16)14-15-11-17-3-1-2-4-19(17)21(27)12-15/h1-6,13,15-16H,7-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus)	BDBM50597775 (CHEMBL5198566) Show SMILES Nc1ncc(\C=C2/CCc3c(O)cccc3C2=O)cn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50597773 (CHEMBL4535634) Show SMILES Oc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50597774 (CHEMBL5178192) Show SMILES Oc1ccc(\C=C2/CCc3c(O)cccc3C2=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50597767 (CHEMBL5200123) Show SMILES CC(=C)C1Cc2cc3C[C@@H](CC(=O)c3cc2C1)c1ccc(O)c(O)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50597766 (CHEMBL5198152) Show SMILES CC1(C)Oc2cc3C[C@@H](CC(=O)c3cc2C=C1)c1ccc(O)cc1 |r,c:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus)	BDBM50597773 (CHEMBL4535634) Show SMILES Oc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50597764 (CHEMBL5197814) Show SMILES CC1(C)Oc2cc3C[C@@H](CC(=O)c3cc2C=C1)c1ccc(O)c(O)c1 |r,c:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus)	BDBM50597774 (CHEMBL5178192) Show SMILES Oc1ccc(\C=C2/CCc3c(O)cccc3C2=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50597775 (CHEMBL5198566) Show SMILES Nc1ncc(\C=C2/CCc3c(O)cccc3C2=O)cn1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50597765 (CHEMBL5178172) Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2cc3C=CC(C)(C)Oc3cc2C1 |r,c:17| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus)	BDBM50597772 (CHEMBL5170103) Show SMILES Oc1cccc2C(=O)\C(CCc12)=C\c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50597772 (CHEMBL5170103) Show SMILES Oc1cccc2C(=O)\C(CCc12)=C\c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM166636 (7-[(4-Chlorobenzyl)oxy]-3,4-dihydronaphthalen-1(2H...) Show SMILES Clc1ccc(COc2ccc3CCCC(=O)c3c2)cc1 Show InChI InChI=1S/C17H15ClO2/c18-14-7-4-12(5-8-14)11-20-15-9-6-13-2-1-3-17(19)16(13)10-15/h4-10H,1-3,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM166630 (7-(Benzyloxy)-3,4-dihydronaphthalen-1(2H)-one (4a)) Show SMILES O=C1CCCc2ccc(OCc3ccccc3)cc12 Show InChI InChI=1S/C17H16O2/c18-17-8-4-7-14-9-10-15(11-16(14)17)19-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM166640 (7-[(4-Methylbenzyl)oxy]-3,4-dihydronaphthalen-1(2H...) Show SMILES Cc1ccc(COc2ccc3CCCC(=O)c3c2)cc1 Show InChI InChI=1S/C18H18O2/c1-13-5-7-14(8-6-13)12-20-16-10-9-15-3-2-4-18(19)17(15)11-16/h5-11H,2-4,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50597771 (CHEMBL5178423) Show SMILES Oc1ccc2CC\C(=C/c3ccc(Cl)c(Cl)c3)C(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM166630 (7-(Benzyloxy)-3,4-dihydronaphthalen-1(2H)-one (4a)) Show SMILES O=C1CCCc2ccc(OCc3ccccc3)cc12 Show InChI InChI=1S/C17H16O2/c18-17-8-4-7-14-9-10-15(11-16(14)17)19-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50597770 (CHEMBL5182438) Show SMILES Oc1ccc2CC\C(=C/c3cccc(Br)c3)C(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM166636 (7-[(4-Chlorobenzyl)oxy]-3,4-dihydronaphthalen-1(2H...) Show SMILES Clc1ccc(COc2ccc3CCCC(=O)c3c2)cc1 Show InChI InChI=1S/C17H15ClO2/c18-14-7-4-12(5-8-14)11-20-15-9-6-13-2-1-3-17(19)16(13)10-15/h4-10H,1-3,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50597778 (CHEMBL5181051) Show SMILES CCC1C\C(=C/c2cc(OC)c(OC)c(OC)c2Br)C(=O)c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM166642 (7-[(4-Cyanobenzyl)oxy]-3,4-dihydronaphthalen-1(2H)...) Show SMILES O=C1CCCc2ccc(OCc3ccc(cc3)C#N)cc12 Show InChI InChI=1S/C18H15NO2/c19-11-13-4-6-14(7-5-13)12-21-16-9-8-15-2-1-3-18(20)17(15)10-16/h4-10H,1-3,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM166642 (7-[(4-Cyanobenzyl)oxy]-3,4-dihydronaphthalen-1(2H)...) Show SMILES O=C1CCCc2ccc(OCc3ccc(cc3)C#N)cc12 Show InChI InChI=1S/C18H15NO2/c19-11-13-4-6-14(7-5-13)12-21-16-9-8-15-2-1-3-18(20)17(15)10-16/h4-10H,1-3,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	366	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50597780 (CHEMBL5202485) Show SMILES COc1cc(\C=C2/CCc3cc(ccc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50597769 (CHEMBL5190154) Show SMILES COc1ccc2CC\C(=C/c3ccc[nH]3)C(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	707	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM166640 (7-[(4-Methylbenzyl)oxy]-3,4-dihydronaphthalen-1(2H...) Show SMILES Cc1ccc(COc2ccc3CCCC(=O)c3c2)cc1 Show InChI InChI=1S/C18H18O2/c1-13-5-7-14(8-6-13)12-20-16-10-9-15-3-2-4-18(19)17(15)11-16/h5-11H,2-4,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50597770 (CHEMBL5182438) Show SMILES Oc1ccc2CC\C(=C/c3cccc(Br)c3)C(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	754	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (Homo sapiens (Human))	BDBM50155481 (2-[1-(2,5-Bis-trifluoromethyl-phenyl)-meth-(E)-yli...) Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(ccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H14F6O2/c1-28-15-5-6-16-11(10-15)2-3-12(18(16)27)8-13-9-14(19(21,22)23)4-7-17(13)20(24,25)26/h4-10H,2-3H2,1H3/b12-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50597778 (CHEMBL5181051) Show SMILES CCC1C\C(=C/c2cc(OC)c(OC)c(OC)c2Br)C(=O)c2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50597780 (CHEMBL5202485) Show SMILES COc1cc(\C=C2/CCc3cc(ccc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM50597779 (CHEMBL5205498) Show SMILES COc1ccc(\C=C2/CCc3cc(ccc3C2=O)[N+]([O-])=O)c(Cl)c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50597768 (CHEMBL5184006) Show SMILES COc1ccc2CC\C(=C/c3cccnc3Cl)C(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50597771 (CHEMBL5178423) Show SMILES Oc1ccc2CC\C(=C/c3ccc(Cl)c(Cl)c3)C(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50597769 (CHEMBL5190154) Show SMILES COc1ccc2CC\C(=C/c3ccc[nH]3)C(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50597779 (CHEMBL5205498) Show SMILES COc1ccc(\C=C2/CCc3cc(ccc3C2=O)[N+]([O-])=O)c(Cl)c1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (Homo sapiens (Human))	BDBM50155469 (2-(4-Hydroxy-benzyl)-6-methoxy-3,4-dihydro-2H-naph...) Show SMILES COc1ccc2C(=O)C(Cc3ccc(O)cc3)CCc2c1 Show InChI InChI=1S/C18H18O3/c1-21-16-8-9-17-13(11-16)4-5-14(18(17)20)10-12-2-6-15(19)7-3-12/h2-3,6-9,11,14,19H,4-5,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50597776 (CHEMBL5183631) Show SMILES COc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50597780 (CHEMBL5202485) Show SMILES COc1cc(\C=C2/CCc3cc(ccc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50597777 (CHEMBL5187030) Show SMILES COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)cc1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus)	BDBM50597777 (CHEMBL5187030) Show SMILES COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)cc1OC Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50597778 (CHEMBL5181051) Show SMILES CCC1C\C(=C/c2cc(OC)c(OC)c(OC)c2Br)C(=O)c2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50597779 (CHEMBL5205498) Show SMILES COc1ccc(\C=C2/CCc3cc(ccc3C2=O)[N+]([O-])=O)c(Cl)c1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Bos taurus)	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50597763 (CHEMBL5203969) Show SMILES COC1CC(=O)c2c(O)ccc(O)c2C1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113964 BindingDB Entry DOI: 10.7270/Q2BP06TV
					More data for this Ligand-Target Pair

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