Compile Data Set for Download or QSAR

Found 861 hits with Last Name = 'wong' and Initial = 'v'   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM50598740 (CHEMBL5175227) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598738 (CHEMBL5204065) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598739 (CHEMBL5188215) Show SMILES COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1)n1cc(cn1)-c1cnnn1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598724 (CHEMBL5170592) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598737 (CHEMBL5205631) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598741 (CHEMBL5204894) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598725 (CHEMBL5185397) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598743 (CHEMBL5178223) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598734 (CHEMBL5197480) Show SMILES Cc1ncsc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598745 (CHEMBL5198823) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccn(n1)C(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598736 (CHEMBL5208095) Show SMILES Cn1cncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598744 (CHEMBL5190323) Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cn1cc(F)cn1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598732 (CHEMBL5192284) Show SMILES [O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1c(F)cncc1Cl)-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396607 (3-[5-Bromo-2-(5-trifluoromethyl-furan-2-ylmethoxy)...) Show SMILES FC(F)(F)c1ccc(COc2ccc(Br)cc2CC2CNC2)o1 Show InChI InChI=1S/C16H15BrF3NO2/c17-12-1-3-14(11(6-12)5-10-7-21-8-10)22-9-13-2-4-15(23-13)16(18,19)20/h1-4,6,10,21H,5,7-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396409 (3-[2-(Azetidin-3-yloxy)-4-chloro-phenoxymethyl]-be...) Show SMILES Clc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1 Show InChI InChI=1S/C17H15ClN2O2/c18-14-4-5-16(17(7-14)22-15-9-20-10-15)21-11-13-3-1-2-12(6-13)8-19/h1-7,15,20H,9-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598742 (CHEMBL5182855) Show SMILES COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1)n1cc(cn1)-c1cnnn1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598729 (CHEMBL5195600) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598727 (CHEMBL5198338) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50598735 (CHEMBL5193267) Show SMILES Cn1nccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB 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: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM50127832 (3-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...) Show SMILES Cc1c(cc2ccccn12)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H28N2O/c1-19-23(18-21-8-3-6-16-25(19)21)20-9-11-22(12-10-20)26-17-7-15-24-13-4-2-5-14-24/h3,6,8-12,16,18H,2,4-5,7,13-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L. L. C. Curated by ChEMBL					Assay Description Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand				Bioorg Med Chem Lett 13: 1767-70 (2003) BindingDB Entry DOI: 10.7270/Q21835V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396570 (3-(5-Bromo-2-phenethyloxy-phenoxy)-azetidine | US9...) Show SMILES Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1 Show InChI InChI=1S/C17H18BrNO2/c18-14-6-7-16(17(10-14)21-15-11-19-12-15)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396384 (3-[2-(Azetidin-3-yloxy)-4-bromo-phenoxymethyl]-ben...) Show SMILES Brc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1 Show InChI InChI=1S/C17H15BrN2O2/c18-14-4-5-16(17(7-14)22-15-9-20-10-15)21-11-13-3-1-2-12(6-13)8-19/h1-7,15,20H,9-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50120543 (7-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...) Show SMILES Cc1ccn2cc(nc2c1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C22H27N3O/c1-18-10-14-25-17-21(23-22(25)16-18)19-6-8-20(9-7-19)26-15-5-13-24-11-3-2-4-12-24/h6-10,14,16-17H,2-5,11-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L. L. C. Curated by ChEMBL					Assay Description Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand				Bioorg Med Chem Lett 13: 1767-70 (2003) BindingDB Entry DOI: 10.7270/Q21835V3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396633 (3-[5-Chloro-2-(naphthalen-2-yloxy)-phenoxy]-azetid...) Show SMILES Clc1ccc(Oc2ccc3ccccc3c2)c(OC2CNC2)c1 Show InChI InChI=1S/C19H16ClNO2/c20-15-6-8-18(19(10-15)23-17-11-21-12-17)22-16-7-5-13-3-1-2-4-14(13)9-16/h1-10,17,21H,11-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598730 (CHEMBL5204289) Show SMILES Cc1nc(N)ccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396410 (3-[5-Chloro-2-(2-chloro-benzyloxy)-phenoxy]-azetid...) Show SMILES Clc1ccc(OCc2ccccc2Cl)c(OC2CNC2)c1 Show InChI InChI=1S/C16H15Cl2NO2/c17-12-5-6-15(16(7-12)21-13-8-19-9-13)20-10-11-3-1-2-4-14(11)18/h1-7,13,19H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM396468 ((R)-3-[4-Chloro-2-(3-chloro-benzyloxy)-phenoxy]-1-...) Show SMILES CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H19Cl2NO2/c1-21-8-7-16(11-21)23-17-6-5-15(20)10-18(17)22-12-13-3-2-4-14(19)9-13/h2-6,9-10,16H,7-8,11-12H2,1H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396607 (3-[5-Bromo-2-(5-trifluoromethyl-furan-2-ylmethoxy)...) Show SMILES FC(F)(F)c1ccc(COc2ccc(Br)cc2CC2CNC2)o1 Show InChI InChI=1S/C16H15BrF3NO2/c17-12-1-3-14(11(6-12)5-10-7-21-8-10)22-9-13-2-4-15(23-13)16(18,19)20/h1-4,6,10,21H,5,7-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396454 (2-[2-(Azetidin-3-yloxy)-4-chloro-phenoxymethyl]-6-...) Show SMILES FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)n1 Show InChI InChI=1S/C16H14ClF3N2O2/c17-10-4-5-13(14(6-10)24-12-7-21-8-12)23-9-11-2-1-3-15(22-11)16(18,19)20/h1-6,12,21H,7-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396604 (3-[5-Bromo-2-(3-fluoro-benzyloxy)-phenoxy]-1-tert-...) Show SMILES CC(C)(C)N1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C20H23BrFNO2/c1-20(2,3)23-11-17(12-23)25-19-10-15(21)7-8-18(19)24-13-14-5-4-6-16(22)9-14/h4-10,17H,11-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50598731 (CHEMBL5198972) Show SMILES Nc1ccc(-c2cnn(c2)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2-n2cnnn2)c(F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396569 (3-[5-Chloro-2-[2-(4-methoxy-phenyl)-ethoxy]-phenox...) Show SMILES COc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1 Show InChI InChI=1S/C18H20ClNO3/c1-21-15-5-2-13(3-6-15)8-9-22-17-7-4-14(19)10-18(17)23-16-11-20-12-16/h2-7,10,16,20H,8-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM396569 (3-[5-Chloro-2-[2-(4-methoxy-phenyl)-ethoxy]-phenox...) Show SMILES COc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1 Show InChI InChI=1S/C18H20ClNO3/c1-21-15-5-2-13(3-6-15)8-9-22-17-7-4-14(19)10-18(17)23-16-11-20-12-16/h2-7,10,16,20H,8-9,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM396570 (3-(5-Bromo-2-phenethyloxy-phenoxy)-azetidine | US9...) Show SMILES Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1 Show InChI InChI=1S/C17H18BrNO2/c18-14-6-7-16(17(10-14)21-15-11-19-12-15)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396550 (3-[5-Chloro-2-(5-fluoro-indan-2-yloxy)-phenoxy]-az...) Show SMILES Fc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1 Show InChI InChI=1S/C18H17ClFNO2/c19-13-2-4-17(18(8-13)23-16-9-21-10-16)22-15-6-11-1-3-14(20)5-12(11)7-15/h1-5,8,15-16,21H,6-7,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396388 (3-[5-Bromo-2-(3-chloro-4-methoxy-benzyloxy)-phenox...) Show SMILES COc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl Show InChI InChI=1S/C17H17BrClNO3/c1-21-15-4-2-11(6-14(15)19)10-22-16-5-3-12(18)7-17(16)23-13-8-20-9-13/h2-7,13,20H,8-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396394 (3-[5-Bromo-2-(3-fluoro-benzyloxy)-phenoxy]-1-propy...) Show SMILES CCCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C19H21BrFNO2/c1-2-8-22-11-17(12-22)24-19-10-15(20)6-7-18(19)23-13-14-4-3-5-16(21)9-14/h3-7,9-10,17H,2,8,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396414 (3-[5-Chloro-2-(3-trifluoromethyl-benzyloxy)-phenox...) Show SMILES FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1 Show InChI InChI=1S/C17H15ClF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396383 (3-[5-Bromo-2-(3-trifluoromethyl-benzyloxy)-phenoxy...) Show SMILES FC(F)(F)c1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C17H15BrF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396392 (3-[5-Bromo-2-(3-fluoro-benzyloxy)-phenoxy]-azetidi...) Show SMILES Fc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrFNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50011239 (CHEMBL3260336 | US9981909, Example 184) Show SMILES FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1 Show InChI InChI=1S/C17H16ClF2NO2/c18-13-6-7-15(16(8-13)23-14-9-21-10-14)22-11-17(19,20)12-4-2-1-3-5-12/h1-8,14,21H,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396561 (3-[5-Chloro-2-(3-chloro-benzyloxy)-phenoxy]-azetid...) Show SMILES Clc1ccc(OCCc2ccccc2)c(OC2CNC2)c1 Show InChI InChI=1S/C17H18ClNO2/c18-14-6-7-16(17(10-14)21-15-11-19-12-15)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396568 (3-[5-Chloro-2-[2-(4-fluoro-phenyl)-ethoxy]-phenoxy...) Show SMILES Fc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1 Show InChI InChI=1S/C17H17ClFNO2/c18-13-3-6-16(17(9-13)22-15-10-20-11-15)21-8-7-12-1-4-14(19)5-2-12/h1-6,9,15,20H,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396474 ((+-)-Methanesulfonic acid 3-[4-bromo-2-(1-methyl-p...) Show SMILES CN1CCC(C1)Oc1cc(Br)ccc1OCc1cccc(OS(C)(=O)=O)c1 Show InChI InChI=1S/C19H22BrNO5S/c1-21-9-8-17(12-21)25-19-11-15(20)6-7-18(19)24-13-14-4-3-5-16(10-14)26-27(2,22)23/h3-7,10-11,17H,8-9,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396476 ((S)-3-[5-Chloro-2-[1-(3-trifluoromethyl-phenyl)-et...) Show SMILES C[C@@H](Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H17ClF3NO2/c1-11(12-3-2-4-13(7-12)18(20,21)22)24-16-6-5-14(19)8-17(16)25-15-9-23-10-15/h2-8,11,15,23H,9-10H2,1H3/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50127844 (3-Ethyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-in...) Show SMILES CCc1c(cc2ccccn12)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H30N2O/c1-2-24-23(19-21-9-4-7-17-26(21)24)20-10-12-22(13-11-20)27-18-8-16-25-14-5-3-6-15-25/h4,7,9-13,17,19H,2-3,5-6,8,14-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L. L. C. Curated by ChEMBL					Assay Description Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand				Bioorg Med Chem Lett 13: 1767-70 (2003) BindingDB Entry DOI: 10.7270/Q21835V3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM396535 (3-[5-Chloro-2-(6-trifluoromethyl-indan-1-yloxy)-ph...) Show SMILES FC(F)(F)c1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1 Show InChI InChI=1S/C19H17ClF3NO2/c20-13-4-6-17(18(8-13)25-14-9-24-10-14)26-16-5-2-11-1-3-12(7-15(11)16)19(21,22)23/h1,3-4,6-8,14,16,24H,2,5,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396390 (3-[5-Bromo-2-(2-chloro-benzyloxy)-phenoxy]-azetidi...) Show SMILES Clc1ccccc1COc1ccc(Br)cc1OC1CNC1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-5-6-15(16(7-12)21-13-8-19-9-13)20-10-11-3-1-2-4-14(11)18/h1-7,13,19H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396393 (3-[5-Bromo-2-(3-fluoro-benzyloxy)-phenoxy]-1-ethyl...) Show SMILES CCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C18H19BrFNO2/c1-2-21-10-16(11-21)23-18-9-14(19)6-7-17(18)22-12-13-4-3-5-15(20)8-13/h3-9,16H,2,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair

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