Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50017834   

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
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50249567 (CHEMBL4075936) Show SMILES Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C1CCCCC1 Show InChI InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	25	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.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50151982 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605302 (CHEMBL5191418) Show SMILES CCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605305 (CHEMBL5176363) Show SMILES CC(C)c1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605288 (CHEMBL5180472) Show SMILES CCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605304 (CHEMBL5181226) Show SMILES CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605306 (CHEMBL5184959) Show SMILES Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank 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.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605287 (CHEMBL5170075) Show SMILES Cc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605307 (CHEMBL5175011) Show SMILES Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CCC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605303 (CHEMBL5208902) Show SMILES CCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605290 (CHEMBL5183093) Show SMILES CC(C)c1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605289 (CHEMBL5201565) Show SMILES CCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605285 (CHEMBL5207117) Show SMILES CCCCn1c(nc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)-c1cccc(Oc2ccc(Cl)cc2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605309 (CHEMBL5183581) Show SMILES Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CCCCC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605308 (CHEMBL5170676) Show SMILES Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CCCC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605313 (CHEMBL5180815) Show SMILES CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605312 (CHEMBL5173093) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605294 (CHEMBL5203206) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605314 (CHEMBL5200156) Show SMILES CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(CC)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605315 (CHEMBL5204395) Show SMILES CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(CCC)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605310 (CHEMBL5194592) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605283 (CHEMBL5188606) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605286 (CHEMBL5192104) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605301 (CHEMBL5178447) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605300 (CHEMBL5204858) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C(C)C)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605299 (CHEMBL5199141) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(CCC)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605298 (CHEMBL5174761) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(CC)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605297 (CHEMBL5172417) Show SMILES CCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605296 (CHEMBL5196372) Show SMILES CCn1cc(CCCCN2CCC(CC2)c2nc(c(C)s2)-c2ccc(Oc3ccc(Cl)cc3)cc2)c2cc(ccc12)C#N Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605295 (CHEMBL5208411) Show SMILES Cc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605292 (CHEMBL5177452) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605291 (CHEMBL5170035) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605316 (CHEMBL5178292) Show SMILES CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C(C)C)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605293 (CHEMBL5206806) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605311 (CHEMBL5172714) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50249580 (Azeliragon | PF-04494700 | TTP448 | US11524942, Co...) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1 Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605284 (CHEMBL5170867) Show SMILES CCCCn1nc(cc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank 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.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50249580 (Azeliragon | PF-04494700 | TTP448 | US11524942, Co...) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1 Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	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.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605302 (CHEMBL5191418) Show SMILES CCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605310 (CHEMBL5194592) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605284 (CHEMBL5170867) Show SMILES CCCCn1nc(cc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50151982 (5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...) Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605313 (CHEMBL5180815) Show SMILES CCCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50605294 (CHEMBL5203206) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1 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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605294 (CHEMBL5203206) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605307 (CHEMBL5175011) Show SMILES Clc1ccc(Oc2ccc(cc2)-n2cc(nc2C2CCC2)C2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50397836 (CHEMBL2179073) Show SMILES CCN(CC)CCOc1cccc(Nc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)16-17-35-25-7-5-6-24(18-25)31-28-32-26(20-8-12-22(29)13-9-20)19-27(33-28)21-10-14-23(30)15-11-21/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605303 (CHEMBL5208902) Show SMILES CCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605283 (CHEMBL5188606) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50249580 (Azeliragon | PF-04494700 | TTP448 | US11524942, Co...) Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1 Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 79 total )  |  Next  |  Last  >>

Jump to: