Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'ranjan' and Initial = 'a'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50595061 (CHEMBL5209357) Show SMILES Cc1nc(C)c(nc1C)C(=O)OCCCOC(=O)c1ccccn1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50595058 (CHEMBL5199704) Show SMILES Cc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCCN2CCOCC2)cc1 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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50595064 (CHEMBL582490 | GNF-Pf-3382) Show SMILES [Br-].C(c1ccccc1)[n+]1ccc(cc1)-c1nc2ccccc2s1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50553263 (CHEMBL4790416) Show SMILES Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCCN2CCOCC2)cc1 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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50595063 (DIHYDROACTINIDIOLIDE) Show SMILES CC12CCCC(C)(C)C1=CC(=O)O2 |c:9| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50046523 (CHEMBL495039) Show SMILES COc1cc(NCCCN)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O2/c1-13-7-10-27-19-16(26-9-4-8-25)12-17(28-2)20(18(13)19)29-15-6-3-5-14(11-15)21(22,23)24/h3,5-7,10-12,26H,4,8-9,25H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50595055 (CHEMBL5200462) Show SMILES O=c1cc(\N=N\N=P(CCP(=N\N=N\c2cc(=O)oc3ccccc23)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2o1 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	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50539579 (CHEMBL4644113) Show SMILES Oc1cc(OCCN2CCCC2)cc2oc3cc(OCCN4CCCC4)ccc3c(=O)c12 Show InChI InChI=1S/C25H30N2O5/c28-21-15-19(31-14-12-27-9-3-4-10-27)17-23-24(21)25(29)20-6-5-18(16-22(20)32-23)30-13-11-26-7-1-2-8-26/h5-6,15-17,28H,1-4,7-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50595062 (CHEMBL5196827) Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc3CCCn3c(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50595052 (CHEMBL5177450) Show SMILES COc1cc(ccc1OCC(=O)NCCCNc1c2CCCCc2nc2ccccc12)-c1nc2ccccc2s1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50595064 (CHEMBL582490 | GNF-Pf-3382) Show SMILES [Br-].C(c1ccccc1)[n+]1ccc(cc1)-c1nc2ccccc2s1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A (Homo sapiens (Human))	BDBM50595057 (CHEMBL5202551) Show SMILES Cl.Cl.NCCCCCCNC1(CCCCC1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50595067 (CHEMBL5208806) Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3[nH]c(=O)ccc3c2)c1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50504429 (CHEMBL4455506) Show SMILES CCN(CC)Cc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)cc1O Show InChI InChI=1S/C22H27NO4/c1-5-23(6-2)15-18-9-7-16(13-20(18)25)8-11-19(24)17-10-12-21(26-3)22(14-17)27-4/h7-14,25H,5-6,15H2,1-4H3/b11-8+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM24724 ((adamantan-1-ylmethyl)({3-[(7-chloroquinolin-4-yl)...) Show SMILES Clc1ccc2c(NCCCNCC34CC5CC(CC(C5)C3)C4)ccnc2c1 |TLB:21:12:19:15.16.17,11:12:19:15.16.17,THB:21:16:19:13.20.12,17:16:13:19.20.18,17:18:13:15.21.16| Show InChI InChI=1S/C23H30ClN3/c24-19-2-3-20-21(4-7-27-22(20)11-19)26-6-1-5-25-15-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-4,7,11,16-18,25H,1,5-6,8-10,12-15H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50595056 (CHEMBL5197661) Show SMILES O=C(N\N=C\Nc1c2CCCCc2nc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:20:23:26.27.25,THB:28:20:23:26.27.25,28:26:23:21.29.20,25:24:21:28.26.27,25:26:21:23.24.29| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	615	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50553263 (CHEMBL4790416) Show SMILES Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCCN2CCOCC2)cc1 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	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50595067 (CHEMBL5208806) Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3[nH]c(=O)ccc3c2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50504429 (CHEMBL4455506) Show SMILES CCN(CC)Cc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)cc1O Show InChI InChI=1S/C22H27NO4/c1-5-23(6-2)15-18-9-7-16(13-20(18)25)8-11-19(24)17-10-12-21(26-3)22(14-17)27-4/h7-14,25H,5-6,15H2,1-4H3/b11-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50595051 (CHEMBL5191506) Show SMILES COc1ccc2nc3CC4CC(CC=C4)c3c(N)c2c1 |c:13,TLB:16:15:10:14.13.12| 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	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50595066 (CHEMBL5188397) Show SMILES Cc1cc2nc(-c3cnc(N)s3)c(nc2cc1C)-c1cnc(N)s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50595062 (CHEMBL5196827) Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc3CCCn3c(=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	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50595053 (CHEMBL5182966) Show SMILES COc1cc(\C=C\C(=O)N2CCC(CC2)c2ncccn2)ccc1O 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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50595051 (CHEMBL5191506) Show SMILES COc1ccc2nc3CC4CC(CC=C4)c3c(N)c2c1 |c:13,TLB:16:15:10:14.13.12| 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	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50595054 (CHEMBL5202021) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)Nc1cccc(CN(C)Cc2ccccc2)c1 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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM225274 (2-[4-(4-Ethylpiperazin-1-yl)phenyl]-1H-benzo[d]imi...) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C19H22N4/c1-2-22-11-13-23(14-12-22)16-9-7-15(8-10-16)19-20-17-5-3-4-6-18(17)21-19/h3-10H,2,11-14H2,1H3,(H,20,21)	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	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50590392 (CHEMBL5170410) Show SMILES CCN(CCCCOc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50595054 (CHEMBL5202021) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)Nc1cccc(CN(C)Cc2ccccc2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50595056 (CHEMBL5197661) Show SMILES O=C(N\N=C\Nc1c2CCCCc2nc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:20:23:26.27.25,THB:28:20:23:26.27.25,28:26:23:21.29.20,25:24:21:28.26.27,25:26:21:23.24.29| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50595065 (CHEMBL5208803) Show SMILES CCOC(=O)C(Cc1cn(nn1)-c1ccccc1)(Cc1cn(nn1)-c1ccccc1)NC(C)=O 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	8.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50590392 (CHEMBL5170410) Show SMILES CCN(CCCCOc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50590392 (CHEMBL5170410) Show SMILES CCN(CCCCOc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50595062 (CHEMBL5196827) Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc3CCCn3c(=O)c2c1 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	9.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50553263 (CHEMBL4790416) Show SMILES Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCCN2CCOCC2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50595060 (CHEBI:17527 | CHEMBL449947) Show SMILES O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50590392 (CHEMBL5170410) Show SMILES CCN(CCCCOc1ccc(\C=C\C(=O)N2CCc3ccccc3C2)cc1OC)Cc1ccccc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50413824 (CHEMBL473093) Show SMILES CCCN1CCN(CC1)c1ncc(CCN(C)CCCc2ccccc2)s1 Show InChI InChI=1S/C22H34N4S/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,19H,3,7,10-18H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50413824 (CHEMBL473093) Show SMILES CCCN1CCN(CC1)c1ncc(CCN(C)CCCc2ccccc2)s1 Show InChI InChI=1S/C22H34N4S/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,19H,3,7,10-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50595059 (CHEMBL5191152) Show SMILES CO[C@H]1CC2N3C[C@H](OC(=O)c4ccc(cc4)[N+]([O-])=O)[C@@]2(C=C1)c1cc2OCOc2cc1C3 |r,c:23,TLB:30:31:4:6.7,24:23:4:6.7| 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	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50595060 (CHEBI:17527 | CHEMBL449947) Show SMILES O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50553263 (CHEMBL4790416) Show SMILES Nc1nc(cc(n1)-c1ccc(OCC#C)cc1)-c1ccc(OCCN2CCOCC2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50269544 (CHEMBL510512 | tellimagrandin II) Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50595054 (CHEMBL5202021) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)Nc1cccc(CN(C)Cc2ccccc2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM225274 (2-[4-(4-Ethylpiperazin-1-yl)phenyl]-1H-benzo[d]imi...) Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C19H22N4/c1-2-22-11-13-23(14-12-22)16-9-7-15(8-10-16)19-20-17-5-3-4-6-18(17)21-19/h3-10H,2,11-14H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50595061 (CHEMBL5209357) Show SMILES Cc1nc(C)c(nc1C)C(=O)OCCCOC(=O)c1ccccn1 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	4.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50046524 (CHEMBL3311235) Show SMILES COc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N2O3/c1-15-10-11-29-23-20(30-14-16-6-8-18(31)9-7-16)13-21(32-2)24(22(15)23)33-19-5-3-4-17(12-19)25(26,27)28/h3-13,30-31H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50595055 (CHEMBL5200462) Show SMILES O=c1cc(\N=N\N=P(CCP(=N\N=N\c2cc(=O)oc3ccccc23)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2o1 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	3.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50046525 (CHEMBL3311239) Show SMILES COc1cc(NCc2cccc3cccnc23)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N3O2/c1-17-11-13-33-26-22(34-16-19-7-3-6-18-8-5-12-32-25(18)19)15-23(35-2)27(24(17)26)36-21-10-4-9-20(14-21)28(29,30)31/h3-15,34H,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50595055 (CHEMBL5200462) Show SMILES O=c1cc(\N=N\N=P(CCP(=N\N=N\c2cc(=O)oc3ccccc23)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2o1 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	4.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116742 BindingDB Entry DOI: 10.7270/Q2BP06SD
					More data for this Ligand-Target Pair

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