Compile Data Set for Download or QSAR

Found 1175 hits with Last Name = 'long' and Initial = 's'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103826 (7-[4-(6-Hydroxy-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Oc1ccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)cc1-c1ccccc1 Show InChI InChI=1S/C24H23N3O3/c28-22-10-9-17(15-19(22)18-5-2-1-3-6-18)16-26-11-13-27(14-12-26)21-8-4-7-20-23(21)30-24(29)25-20/h1-10,15,28H,11-14,16H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103839 (7-{4-[4-(4-Fluoro-phenyl)-pyridin-2-ylmethyl]-pipe...) Show SMILES Fc1ccc(cc1)-c1ccnc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C23H21FN4O2/c24-18-6-4-16(5-7-18)17-8-9-25-19(14-17)15-27-10-12-28(13-11-27)21-3-1-2-20-22(21)30-23(29)26-20/h1-9,14H,10-13,15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103840 (1-Biphenyl-3-ylmethyl-4-(2,3-dihydro-benzo[1,4]dio...) Show SMILES C(N1CCN(CC1)c1cccc2OCCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O2/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-26-12-14-27(15-13-26)23-10-5-11-24-25(23)29-17-16-28-24/h1-11,18H,12-17,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103830 (8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3,4-dihyd...) Show SMILES C(N1CCN(CC1)c1cccc2NCCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H27N3O/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-27-13-15-28(16-14-27)24-11-5-10-23-25(24)29-17-12-26-23/h1-11,18,26H,12-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103841 (8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-4H-benzo[...) Show SMILES O=C1COc2c(N1)cccc2N1CCN(Cc2cccc(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H25N3O2/c29-24-18-30-25-22(26-24)10-5-11-23(25)28-14-12-27(13-15-28)17-19-6-4-9-21(16-19)20-7-2-1-3-8-20/h1-11,16H,12-15,17-18H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10323 ((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1	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	1.20	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103835 (7-[4-(3-Thiophen-3-yl-benzyl)-piperazin-1-yl]-3H-b...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccsc4)CC3)c2o1 Show InChI InChI=1S/C22H21N3O2S/c26-22-23-19-5-2-6-20(21(19)27-22)25-10-8-24(9-11-25)14-16-3-1-4-17(13-16)18-7-12-28-15-18/h1-7,12-13,15H,8-11,14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103840 (1-Biphenyl-3-ylmethyl-4-(2,3-dihydro-benzo[1,4]dio...) Show SMILES C(N1CCN(CC1)c1cccc2OCCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O2/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-26-12-14-27(15-13-26)23-10-5-11-24-25(23)29-17-16-28-24/h1-11,18H,12-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103843 (7-[4-(5-Phenyl-pyridin-3-ylmethyl)-piperazin-1-yl]...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cncc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C23H22N4O2/c28-23-25-20-7-4-8-21(22(20)29-23)27-11-9-26(10-12-27)16-17-13-19(15-24-14-17)18-5-2-1-3-6-18/h1-8,13-15H,9-12,16H2,(H,25,28)	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
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103847 (3'-[4-(2-Oxo-2,3-dihydro-benzooxazol-7-yl)-piperaz...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4C#N)CC3)c2o1 Show InChI InChI=1S/C25H22N4O2/c26-16-20-6-1-2-8-21(20)19-7-3-5-18(15-19)17-28-11-13-29(14-12-28)23-10-4-9-22-24(23)31-25(30)27-22/h1-10,15H,11-14,17H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103831 (7-[4-(3-Thiophen-2-yl-benzyl)-piperazin-1-yl]-3H-b...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccs4)CC3)c2o1 Show InChI InChI=1S/C22H21N3O2S/c26-22-23-18-6-2-7-19(21(18)27-22)25-11-9-24(10-12-25)15-16-4-1-5-17(14-16)20-8-3-13-28-20/h1-8,13-14H,9-12,15H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50241119 (7-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3H-benzoo...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103846 (7-{4-[2-(4-Fluoro-phenyl)-pyridin-4-ylmethyl]-pipe...) Show SMILES Fc1ccc(cc1)-c1cc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)ccn1 Show InChI InChI=1S/C23H21FN4O2/c24-18-6-4-17(5-7-18)20-14-16(8-9-25-20)15-27-10-12-28(13-11-27)21-3-1-2-19-22(21)30-23(29)26-19/h1-9,14H,10-13,15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103827 (7-{4-[6-(4-Fluoro-phenyl)-pyridin-2-ylmethyl]-pipe...) Show SMILES Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)n1 Show InChI InChI=1S/C23H21FN4O2/c24-17-9-7-16(8-10-17)19-4-1-3-18(25-19)15-27-11-13-28(14-12-27)21-6-2-5-20-22(21)30-23(29)26-20/h1-10H,11-15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103844 (5-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-1,2,3,4-t...) Show SMILES C(N1CCN(CC1)c1cccc2NCCCc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C26H29N3/c1-2-8-22(9-3-1)23-10-4-7-21(19-23)20-28-15-17-29(18-16-28)26-13-5-12-25-24(26)11-6-14-27-25/h1-5,7-10,12-13,19,27H,6,11,14-18,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103834 (4-Fluoro-N-{2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C20H21FN4O3/c21-15-6-4-14(5-7-15)19(26)22-8-9-24-10-12-25(13-11-24)17-3-1-2-16-18(17)28-20(27)23-16/h1-7H,8-13H2,(H,22,26)(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50019960 (4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...) Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O2/c1-26-19-5-3-2-4-18(19)24-14-12-23(13-15-24)11-10-22-20(25)16-6-8-17(21)9-7-16/h2-9H,10-15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103828 (3'-[4-(2-Oxo-2,3-dihydro-benzooxazol-7-yl)-piperaz...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccc(c4)C#N)CC3)c2o1 Show InChI InChI=1S/C25H22N4O2/c26-16-18-4-1-6-20(14-18)21-7-2-5-19(15-21)17-28-10-12-29(13-11-28)23-9-3-8-22-24(23)31-25(30)27-22/h1-9,14-15H,10-13,17H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10323 ((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1	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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103826 (7-[4-(6-Hydroxy-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Oc1ccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)cc1-c1ccccc1 Show InChI InChI=1S/C24H23N3O3/c28-22-10-9-17(15-19(22)18-5-2-1-3-6-18)16-26-11-13-27(14-12-26)21-8-4-7-20-23(21)30-24(29)25-20/h1-10,15,28H,11-14,16H2,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103843 (7-[4-(5-Phenyl-pyridin-3-ylmethyl)-piperazin-1-yl]...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cncc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C23H22N4O2/c28-23-25-20-7-4-8-21(22(20)29-23)27-11-9-26(10-12-27)16-17-13-19(15-24-14-17)18-5-2-1-3-6-18/h1-8,13-15H,9-12,16H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103834 (4-Fluoro-N-{2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12 Show InChI InChI=1S/C20H21FN4O3/c21-15-6-4-14(5-7-15)19(26)22-8-9-24-10-12-25(13-11-24)17-3-1-2-16-18(17)28-20(27)23-16/h1-7H,8-13H2,(H,22,26)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103832 (1-Benzofuran-7-yl-4-biphenyl-3-ylmethyl-piperazine...) Show SMILES C(N1CCN(CC1)c1cccc2ccoc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H24N2O/c1-2-7-21(8-3-1)23-10-4-6-20(18-23)19-26-13-15-27(16-14-26)24-11-5-9-22-12-17-28-25(22)24/h1-12,17-18H,13-16,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103833 (7-[4-(4'-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C24H22FN3O2/c25-20-9-7-18(8-10-20)19-4-1-3-17(15-19)16-27-11-13-28(14-12-27)22-6-2-5-21-23(22)30-24(29)26-21/h1-10,15H,11-14,16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50241119 (7-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3H-benzoo...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103838 (7-[4-(3'-Methyl-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Cc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C25H25N3O2/c1-18-5-2-7-20(15-18)21-8-3-6-19(16-21)17-27-11-13-28(14-12-27)23-10-4-9-22-24(23)30-25(29)26-22/h2-10,15-16H,11-14,17H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103836 (7-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3-methyl-...) Show SMILES Cn1c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2oc1=O Show InChI InChI=1S/C25H25N3O2/c1-26-22-11-6-12-23(24(22)30-25(26)29)28-15-13-27(14-16-28)18-19-7-5-10-21(17-19)20-8-3-2-4-9-20/h2-12,17H,13-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103848 (7-[4-(3'-Methoxy-biphenyl-3-ylmethyl)-piperazin-1-...) Show SMILES COc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C25H25N3O3/c1-30-21-8-3-7-20(16-21)19-6-2-5-18(15-19)17-27-11-13-28(14-12-27)23-10-4-9-22-24(23)31-25(29)26-22/h2-10,15-16H,11-14,17H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103842 (1-Benzo[1,3]dioxol-4-yl-4-biphenyl-3-ylmethyl-pipe...) Show SMILES C(N1CCN(CC1)c1cccc2OCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C24H24N2O2/c1-2-7-20(8-3-1)21-9-4-6-19(16-21)17-25-12-14-26(15-13-25)22-10-5-11-23-24(22)28-18-27-23/h1-11,16H,12-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103837 (7-[4-(4-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-yl...) Show SMILES Fc1ccc(cc1CN1CCN(CC1)c1cccc2[nH]c(=O)oc12)-c1ccccc1 Show InChI InChI=1S/C24H22FN3O2/c25-20-10-9-18(17-5-2-1-3-6-17)15-19(20)16-27-11-13-28(14-12-27)22-8-4-7-21-23(22)30-24(29)26-21/h1-10,15H,11-14,16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103833 (7-[4-(4'-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C24H22FN3O2/c25-20-9-7-18(8-10-20)19-4-1-3-17(15-19)16-27-11-13-28(14-12-27)22-6-2-5-21-23(22)30-24(29)26-21/h1-10,15H,11-14,16H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10318 ((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1	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	15	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103842 (1-Benzo[1,3]dioxol-4-yl-4-biphenyl-3-ylmethyl-pipe...) Show SMILES C(N1CCN(CC1)c1cccc2OCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C24H24N2O2/c1-2-7-20(8-3-1)21-9-4-6-19(16-21)17-25-12-14-26(15-13-25)22-10-5-11-23-24(22)28-18-27-23/h1-11,16H,12-15,17-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103839 (7-{4-[4-(4-Fluoro-phenyl)-pyridin-2-ylmethyl]-pipe...) Show SMILES Fc1ccc(cc1)-c1ccnc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C23H21FN4O2/c24-18-6-4-16(5-7-18)17-8-9-25-19(14-17)15-27-10-12-28(13-11-27)21-3-1-2-20-22(21)30-23(29)26-20/h1-9,14H,10-13,15H2,(H,26,29)	PDB UniProtKB/SwissProt 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
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103835 (7-[4-(3-Thiophen-3-yl-benzyl)-piperazin-1-yl]-3H-b...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccsc4)CC3)c2o1 Show InChI InChI=1S/C22H21N3O2S/c26-22-23-19-5-2-6-20(21(19)27-22)25-10-8-24(9-11-25)14-16-3-1-4-17(13-16)18-7-12-28-15-18/h1-7,12-13,15H,8-11,14H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50103845 (7-[4-(3'-Chloro-biphenyl-3-ylmethyl)-piperazin-1-y...) Show SMILES Clc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C24H22ClN3O2/c25-20-7-2-6-19(15-20)18-5-1-4-17(14-18)16-27-10-12-28(13-11-27)22-9-3-8-21-23(22)30-24(29)26-21/h1-9,14-15H,10-13,16H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10315 ((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...) Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O4S/c23-18-16-11-15(8-9-17(16)21-19(18)24)27(25,26)22-10-4-7-14(22)12-20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,20H,4,7,10,12H2,(H,21,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466891 (CHEMBL4281109) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466897 (CHEMBL4287715) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C27H29N5O2/c1-31-17-23(19-9-12-32(13-10-19)27(34)20-4-2-3-5-20)22-15-21(6-7-25(22)31)30-26(33)24-14-18(16-28)8-11-29-24/h6-8,11,14-15,17,19-20H,2-5,9-10,12-13H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103846 (7-{4-[2-(4-Fluoro-phenyl)-pyridin-4-ylmethyl]-pipe...) Show SMILES Fc1ccc(cc1)-c1cc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)ccn1 Show InChI InChI=1S/C23H21FN4O2/c24-18-6-4-17(5-7-18)20-14-16(8-9-25-20)15-27-10-12-28(13-11-27)21-3-1-2-19-22(21)30-23(29)26-19/h1-9,14H,10-13,15H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103848 (7-[4-(3'-Methoxy-biphenyl-3-ylmethyl)-piperazin-1-...) Show SMILES COc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1 Show InChI InChI=1S/C25H25N3O3/c1-30-21-8-3-7-20(16-21)19-6-2-5-18(15-19)17-27-11-13-28(14-12-27)23-10-4-9-22-24(23)31-25(29)26-22/h2-10,15-16H,11-14,17H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103828 (3'-[4-(2-Oxo-2,3-dihydro-benzooxazol-7-yl)-piperaz...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccc(c4)C#N)CC3)c2o1 Show InChI InChI=1S/C25H22N4O2/c26-16-18-4-1-6-20(14-18)21-7-2-5-19(15-21)17-28-10-12-29(13-11-28)23-9-3-8-22-24(23)31-25(30)27-22/h1-9,14-15H,10-13,17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103830 (8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3,4-dihyd...) Show SMILES C(N1CCN(CC1)c1cccc2NCCOc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C25H27N3O/c1-2-7-21(8-3-1)22-9-4-6-20(18-22)19-27-13-15-28(16-14-27)24-11-5-10-23-25(24)29-17-12-26-23/h1-11,18,26H,12-17,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103847 (3'-[4-(2-Oxo-2,3-dihydro-benzooxazol-7-yl)-piperaz...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4C#N)CC3)c2o1 Show InChI InChI=1S/C25H22N4O2/c26-16-20-6-1-2-8-21(20)19-7-3-5-18(15-19)17-28-11-13-29(14-12-28)23-10-4-9-22-24(23)31-25(30)27-22/h1-10,15H,11-14,17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103831 (7-[4-(3-Thiophen-2-yl-benzyl)-piperazin-1-yl]-3H-b...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccs4)CC3)c2o1 Show InChI InChI=1S/C22H21N3O2S/c26-22-23-18-6-2-7-19(21(18)27-22)25-11-9-24(10-12-25)15-16-4-1-5-17(14-16)20-8-3-13-28-20/h1-8,13-14H,9-12,15H2,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair

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