Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'meng' and Initial = 'cq'   

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 1D (Homo sapiens (Human))	BDBM50090516 (5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090517 (5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...) Show SMILES CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090519 (CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...) Show SMILES CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090523 (2-(5-tert-Butyl-1-methyl-1H-indol-3-yl)-ethylamine...) Show SMILES Cn1cc(CCN)c2cc(ccc12)C(C)(C)C Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(7-8-16)10-17(14)4/h5-6,9-10H,7-8,16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088870 (CHEMBL171129 | Dimethyl-[2-(5-thiophen-3-yl-1H-ind...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-c1ccsc1 Show InChI InChI=1S/C16H18N2S/c1-18(2)7-5-13-10-17-16-4-3-12(9-15(13)16)14-6-8-19-11-14/h3-4,6,8-11,17H,5,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088867 (CHEMBL170192 | Dimethyl-[2-(5-thiophen-2-yl-1H-ind...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C16H18N2S/c1-18(2)8-7-13-11-17-15-6-5-12(10-14(13)15)16-4-3-9-19-16/h3-6,9-11,17H,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090522 (5-Ethyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-...) Show SMILES CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 Show InChI InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088863 (2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine | CHE...) Show SMILES NCCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C14H14N2S/c15-6-5-11-9-16-13-4-3-10(8-12(11)13)14-2-1-7-17-14/h1-4,7-9,16H,5-6,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088864 (3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-...) Show SMILES COC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C20H24N2OS/c1-23-14-17-4-2-9-22(17)10-8-16-13-21-19-7-6-15(12-18(16)19)20-5-3-11-24-20/h3,5-7,11-13,17,21H,2,4,8-10,14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088869 (3-[2-(2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-5-thiop...) Show SMILES CC1CCC(C)N1CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C20H24N2S/c1-14-5-6-15(2)22(14)10-9-17-13-21-19-8-7-16(12-18(17)19)20-4-3-11-23-20/h3-4,7-8,11-15,21H,5-6,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090521 (5-tert-Butyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole...) Show SMILES CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C18H26N2/c1-18(2,3)15-6-7-17-16(12-15)14(13-19-17)8-11-20-9-4-5-10-20/h6-7,12-13,19H,4-5,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088866 (CHEMBL174355 | Dimethyl-{2-[5-(5-methyl-thiophen-2...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-c1ccc(C)s1 Show InChI InChI=1S/C17H20N2S/c1-12-4-7-17(20-12)13-5-6-16-15(10-13)14(11-18-16)8-9-19(2)3/h4-7,10-11,18H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090515 (5-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(C)cc12 Show InChI InChI=1S/C15H20N2/c1-11-5-6-15-14(8-11)12(10-16-15)9-13-4-3-7-17(13)2/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088868 (3-[2-(2,5-Dihydro-pyrrol-1-yl)-ethyl]-5-thiophen-2...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CC=CC1 |c:21| Show InChI InChI=1S/C18H18N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h1-6,11-13,19H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090518 (5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole ...) Show SMILES CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088860 (CHEMBL422737 | {2-[5-(5-Chloro-thiophen-2-yl)-1H-i...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-c1ccc(Cl)s1 Show InChI InChI=1S/C16H17ClN2S/c1-19(2)8-7-12-10-18-14-4-3-11(9-13(12)14)15-5-6-16(17)20-15/h3-6,9-10,18H,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088865 (CHEMBL174141 | {(S)-1-[2-(5-Thiophen-2-yl-1H-indol...) Show SMILES OC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C19H22N2OS/c22-13-16-3-1-8-21(16)9-7-15-12-20-18-6-5-14(11-17(15)18)19-4-2-10-23-19/h2,4-6,10-12,16,20,22H,1,3,7-9,13H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088864 (3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-...) Show SMILES COC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C20H24N2OS/c1-23-14-17-4-2-9-22(17)10-8-16-13-21-19-7-6-15(12-18(16)19)20-5-3-11-24-20/h3,5-7,11-13,17,21H,2,4,8-10,14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090517 (5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...) Show SMILES CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090519 (CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...) Show SMILES CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50049099 (CHEMBL50492 | [2-(5-Ethyl-1H-indol-3-yl)-ethyl]-di...) Show SMILES CCc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090516 (5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088870 (CHEMBL171129 | Dimethyl-[2-(5-thiophen-3-yl-1H-ind...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-c1ccsc1 Show InChI InChI=1S/C16H18N2S/c1-18(2)7-5-13-10-17-16-4-3-12(9-15(13)16)14-6-8-19-11-14/h3-4,6,8-11,17H,5,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088861 (3-(2-Pyrrolidin-1-yl-ethyl)-5-thiophen-2-yl-1H-ind...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CCCC1 Show InChI InChI=1S/C18H20N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h3-6,11-13,19H,1-2,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088867 (CHEMBL170192 | Dimethyl-[2-(5-thiophen-2-yl-1H-ind...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C16H18N2S/c1-18(2)8-7-13-11-17-15-6-5-12(10-14(13)15)16-4-3-9-19-16/h3-6,9-11,17H,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50088862 (5-(5-Chloro-thiophen-2-yl)-3-(2-pyrrolidin-1-yl-et...) Show SMILES Clc1ccc(s1)-c1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C18H19ClN2S/c19-18-6-5-17(22-18)13-3-4-16-15(11-13)14(12-20-16)7-10-21-8-1-2-9-21/h3-6,11-12,20H,1-2,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088863 (2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine | CHE...) Show SMILES NCCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C14H14N2S/c15-6-5-11-9-16-13-4-3-10(8-12(11)13)14-2-1-7-17-14/h1-4,7-9,16H,5-6,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50090520 (5-Ethyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole | CH...) Show SMILES CCc1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C16H22N2/c1-2-13-5-6-16-15(11-13)14(12-17-16)7-10-18-8-3-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090522 (5-Ethyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-...) Show SMILES CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 Show InChI InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088869 (3-[2-(2,5-Dimethyl-pyrrolidin-1-yl)-ethyl]-5-thiop...) Show SMILES CC1CCC(C)N1CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C20H24N2S/c1-14-5-6-15(2)22(14)10-9-17-13-21-19-8-7-16(12-18(17)19)20-4-3-11-23-20/h3-4,7-8,11-15,21H,5-6,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088868 (3-[2-(2,5-Dihydro-pyrrol-1-yl)-ethyl]-5-thiophen-2...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CC=CC1 |c:21| Show InChI InChI=1S/C18H18N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h1-6,11-13,19H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088865 (CHEMBL174141 | {(S)-1-[2-(5-Thiophen-2-yl-1H-indol...) Show SMILES OC[C@@H]1CCCN1CCc1c[nH]c2ccc(cc12)-c1cccs1 Show InChI InChI=1S/C19H22N2OS/c22-13-16-3-1-8-21(16)9-7-15-12-20-18-6-5-14(11-17(15)18)19-4-2-10-23-19/h2,4-6,10-12,16,20,22H,1,3,7-9,13H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090515 (5-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(C)cc12 Show InChI InChI=1S/C15H20N2/c1-11-5-6-15-14(8-11)12(10-16-15)9-13-4-3-7-17(13)2/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088866 (CHEMBL174355 | Dimethyl-{2-[5-(5-methyl-thiophen-2...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-c1ccc(C)s1 Show InChI InChI=1S/C17H20N2S/c1-12-4-7-17(20-12)13-5-6-16-15(10-13)14(11-18-16)8-9-19(2)3/h4-7,10-11,18H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50049099 (CHEMBL50492 | [2-(5-Ethyl-1H-indol-3-yl)-ethyl]-di...) Show SMILES CCc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088860 (CHEMBL422737 | {2-[5-(5-Chloro-thiophen-2-yl)-1H-i...) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-c1ccc(Cl)s1 Show InChI InChI=1S/C16H17ClN2S/c1-19(2)8-7-12-10-18-14-4-3-11(9-13(12)14)15-5-6-16(17)20-15/h3-6,9-10,18H,7-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090521 (5-tert-Butyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole...) Show SMILES CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C18H26N2/c1-18(2,3)15-6-7-17-16(12-15)14(13-19-17)8-11-20-9-4-5-10-20/h6-7,12-13,19H,4-5,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090518 (5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole ...) Show SMILES CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	472	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088862 (5-(5-Chloro-thiophen-2-yl)-3-(2-pyrrolidin-1-yl-et...) Show SMILES Clc1ccc(s1)-c1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C18H19ClN2S/c19-18-6-5-17(22-18)13-3-4-16-15(11-13)14(12-20-16)7-10-21-8-1-2-9-21/h3-6,11-12,20H,1-2,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	476	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50088861 (3-(2-Pyrrolidin-1-yl-ethyl)-5-thiophen-2-yl-1H-ind...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-c1cccs1)N1CCCC1 Show InChI InChI=1S/C18H20N2S/c1-2-9-20(8-1)10-7-15-13-19-17-6-5-14(12-16(15)17)18-4-3-11-21-18/h3-6,11-13,19H,1-2,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	714	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 903-5 (2000) BindingDB Entry DOI: 10.7270/Q24F1PZJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50090520 (5-Ethyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole | CH...) Show SMILES CCc1ccc2[nH]cc(CCN3CCCC3)c2c1 Show InChI InChI=1S/C16H22N2/c1-2-13-5-6-16-15(11-13)14(12-17-16)7-10-18-8-3-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Allelix Corp. Curated by ChEMBL					Assay Description Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 10: 1707-9 (2000) BindingDB Entry DOI: 10.7270/Q2GF0SRT
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50141488 ((E)-1-(2,2-Dihydroxy-benzo[1,3]dioxol-5-yl)-3-(3,4...) Show SMILES COc1cc(\C=C\C(=O)c2ccc3OC(O)(O)Oc3c2)cc(-c2cccs2)c1OC Show InChI InChI=1S/C22H18O7S/c1-26-19-11-13(10-15(21(19)27-2)20-4-3-9-30-20)5-7-16(23)14-6-8-17-18(12-14)29-22(24,25)28-17/h3-12,24-25H,1-2H3/b7-5+	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AtheroGenics, Inc. Curated by ChEMBL					Assay Description Inhibition of TNF-alpha-induced VCAM-1 expression				Bioorg Med Chem Lett 14: 1513-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.021 BindingDB Entry DOI: 10.7270/Q2028QZK
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50141481 ((E)-3-(5-Benzo[b]thiophen-2-yl-2,4-dimethoxy-pheny...) Show SMILES COc1cc(OC)c(cc1\C=C\C(=O)c1cc(OC)c(O)c(OC)c1)-c1cc2ccccc2s1 Show InChI InChI=1S/C27H24O6S/c1-30-21-15-22(31-2)19(26-14-17-7-5-6-8-25(17)34-26)11-16(21)9-10-20(28)18-12-23(32-3)27(29)24(13-18)33-4/h5-15,29H,1-4H3/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AtheroGenics, Inc. Curated by ChEMBL					Assay Description Inhibition of TNF-alpha-induced VCAM-1 expression				Bioorg Med Chem Lett 14: 1513-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.021 BindingDB Entry DOI: 10.7270/Q2028QZK
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50141536 (CHEMBL39896 | {4-[(E)-3-(3,4-Dimethoxy-5-thiophen-...) Show SMILES COc1cc(\C=C\C(=O)c2cc(OC)c(OCC(O)=O)c(OC)c2)cc(-c2cccs2)c1OC Show InChI InChI=1S/C25H24O8S/c1-29-19-11-15(10-17(24(19)32-4)22-6-5-9-34-22)7-8-18(26)16-12-20(30-2)25(21(13-16)31-3)33-14-23(27)28/h5-13H,14H2,1-4H3,(H,27,28)/b8-7+	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AtheroGenics, Inc. Curated by ChEMBL					Assay Description Inhibition of TNF-alpha-induced VCAM-1 expression				Bioorg Med Chem Lett 14: 1513-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.021 BindingDB Entry DOI: 10.7270/Q2028QZK
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50141477 (CHEMBL39656 | {2,6-Dimethoxy-4-[(E)-3-(2-methoxy-5...) Show SMILES COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OCC(O)=O)c(OC)c1)-c1cccs1 Show InChI InChI=1S/C24H22O7S/c1-28-19-9-7-16(22-5-4-10-32-22)11-15(19)6-8-18(25)17-12-20(29-2)24(21(13-17)30-3)31-14-23(26)27/h4-13H,14H2,1-3H3,(H,26,27)/b8-6+	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AtheroGenics, Inc. Curated by ChEMBL					Assay Description Inhibition of TNF-alpha-induced VCAM-1 expression				Bioorg Med Chem Lett 14: 1513-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.021 BindingDB Entry DOI: 10.7270/Q2028QZK
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50141507 (CHEMBL37663 | {4-[(E)-3-(5-Benzo[b]thiophen-2-yl-2...) Show SMILES COc1cc(OC)c(cc1\C=C\C(=O)c1ccc(SCC(O)=O)cc1)-c1cc2ccccc2s1 Show InChI InChI=1S/C27H22O5S2/c1-31-23-15-24(32-2)21(26-14-19-5-3-4-6-25(19)34-26)13-18(23)9-12-22(28)17-7-10-20(11-8-17)33-16-27(29)30/h3-15H,16H2,1-2H3,(H,29,30)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AtheroGenics, Inc. Curated by ChEMBL					Assay Description Inhibition of TNF-alpha-induced VCAM-1 expression				Bioorg Med Chem Lett 14: 1513-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.021 BindingDB Entry DOI: 10.7270/Q2028QZK
					More data for this Ligand-Target Pair

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