Compile Data Set for Download or QSAR

Found 311 hits with Last Name = 'hayes' and Initial = 'n'   

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))	BDBM50048302 (4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...) Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8| Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50048302 (4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...) Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8| Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50048300 (4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...) Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8| Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1	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
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50048300 (4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...) Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8| Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50048302 (4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...) Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8| Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50048301 (4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...) Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8| Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50048299 (4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...) Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18| Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50048300 (4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...) Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8| Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50048299 (4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...) Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18| Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50048299 (4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...) Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18| Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50048301 (4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...) Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8| Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048302 (4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...) Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8| Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048300 (4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...) Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8| Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048299 (4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...) Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18| Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	90.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50048301 (4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...) Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8| Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048301 (4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...) Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8| Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone				J Med Chem 38: 5007-14 (1996) BindingDB Entry DOI: 10.7270/Q2VQ31SG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000293 (2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...) Show SMILES Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)OCCO3)cc1Cl Show InChI InChI=1S/C20H26Cl2N2O3/c21-17-4-3-15(11-18(17)22)12-19(25)24-8-5-20(26-9-10-27-20)13-16(24)14-23-6-1-2-7-23/h3-4,11,16H,1-2,5-10,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000288 ((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CC\C(C2)=C\C#N)cc1Cl Show InChI InChI=1S/C20H23Cl2N3O/c21-18-5-4-16(11-19(18)22)12-20(26)25-9-2-1-3-17(25)14-24-10-7-15(13-24)6-8-23/h4-6,11,17H,1-3,7,9-10,12-14H2/b15-6-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000271 (1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2-...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=O)C2)cc1Cl Show InChI InChI=1S/C18H22Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14H,1-3,6-8,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383916 (CHEMBL2031657) Show SMILES O=c1[nH]nc(o1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:27.28:30,THB:23:24:27.28:30| Show InChI InChI=1S/C31H27N3O3/c35-30-34-33-29(37-30)26-15-14-25(36-19-24-13-11-21-6-4-5-9-28(21)32-24)17-27(26)31(22-7-2-1-3-8-22)18-20-10-12-23(31)16-20/h1-9,11,13-15,17,20,23H,10,12,16,18-19H2,(H,34,35)/t20-,23-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000260 (2-(3,4-Dichloro-phenyl)-1-[2-(3-hydroxy-pyrrolidin...) Show SMILES OC1CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H24Cl2N2O2/c19-16-5-4-13(9-17(16)20)10-18(24)22-7-2-1-3-14(22)11-21-8-6-15(23)12-21/h4-5,9,14-15,23H,1-3,6-8,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration in LXRSPA alpha binding assay				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167698 (13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...) Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167697 ((4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...) Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(36)19-25(21)31)29(38)35-30(39)34(4)18-6-16-32(2)26-20-24(37)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,36-37H,5-6,9-10,13-18H2,1-4H3,(H,35,38,39)/t27-,28-,31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration in LXRSPA beta binding assay				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383906 (CHEMBL2031647) Show SMILES Sc1nnc(o1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:28.27:30,THB:23:24:28.27:30| Show InChI InChI=1S/C31H27N3O2S/c37-30-34-33-29(36-30)26-15-14-25(35-19-24-13-11-21-6-4-5-9-28(21)32-24)17-27(26)31(22-7-2-1-3-8-22)18-20-10-12-23(31)16-20/h1-9,11,13-15,17,20,23H,10,12,16,18-19H2,(H,34,37)/t20-,23-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383917 (CHEMBL2031658) Show SMILES COc1cccc(c1)[C@@]1(C[C@H]2CC[C@H]1C2)c1cc(OCc2ccc3ccccc3n2)ccc1-c1n[nH]c(=O)o1 |r,TLB:6:8:11.12:14,THB:15:8:11.12:14| Show InChI InChI=1S/C32H29N3O4/c1-37-25-7-4-6-22(16-25)32(18-20-9-11-23(32)15-20)28-17-26(13-14-27(28)30-34-35-31(36)39-30)38-19-24-12-10-21-5-2-3-8-29(21)33-24/h2-8,10,12-14,16-17,20,23H,9,11,15,18-19H2,1H3,(H,35,36)/t20-,23-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383910 (CHEMBL2031651) Show SMILES Cc1nc(no1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:28.27:30,THB:23:24:28.27:30| Show InChI InChI=1S/C32H29N3O2/c1-21-33-31(35-37-21)28-16-15-27(36-20-26-14-12-23-7-5-6-10-30(23)34-26)18-29(28)32(24-8-3-2-4-9-24)19-22-11-13-25(32)17-22/h2-10,12,14-16,18,22,25H,11,13,17,19-20H2,1H3/t22-,25-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000284 (2-(3,4-Dichloro-phenyl)-1-(2-methyl-6-pyrrolidin-1...) Show SMILES C[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H26Cl2N2O/c1-14-5-4-6-16(13-22-9-2-3-10-22)23(14)19(24)12-15-7-8-17(20)18(21)11-15/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3/t14-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383914 (CHEMBL2031655) Show SMILES CC(C)n1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:33:26:30.29:32,THB:25:26:30.29:32| Show InChI InChI=1S/C33H33N5O/c1-22(2)38-36-32(35-37-38)29-17-16-28(39-21-27-15-13-24-8-6-7-11-31(24)34-27)19-30(29)33(25-9-4-3-5-10-25)20-23-12-14-26(33)18-23/h3-11,13,15-17,19,22-23,26H,12,14,18,20-21H2,1-2H3/t23-,26-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383918 (CHEMBL2031659) Show SMILES CC(C)(C)[C@@H](c1ccccc1)c1cc(OCc2ccc3ccccc3n2)ccc1-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C29H27N3O3/c1-29(2,3)26(20-10-5-4-6-11-20)24-17-22(15-16-23(24)27-31-32-28(33)35-27)34-18-21-14-13-19-9-7-8-12-25(19)30-21/h4-17,26H,18H2,1-3H3,(H,32,33)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167698 (13-hydroxy-2,6-dimethyl-(2S,7R)-tricyclo[8.4.0.02,...) Show SMILES CC1(CCCC2(C)C1CCc1ccc(O)cc21)C(=O)OC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C34H42O5/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23(35)19-25(21)31)29(37)39-30(38)34(4)18-6-16-32(2)26-20-24(36)12-8-22(26)10-14-28(32)34/h7-8,11-12,19-20,27-28,35-36H,5-6,9-10,13-18H2,1-4H3/t27-,28?,31-,32?,33?,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration in LXRSPA alpha binding assay				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay				Bioorg Med Chem Lett 15: 2824-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.100 BindingDB Entry DOI: 10.7270/Q29G5NM2
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50167694 (2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8....) Show SMILES CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21 Show InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration in LXRSPA beta binding assay				Bioorg Med Chem Lett 15: 4574-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.100 BindingDB Entry DOI: 10.7270/Q2154GKK
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383883 (CHEMBL2029369) Show SMILES COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:29:22:26.25:28,THB:21:22:26.25:28| Show InChI InChI=1S/C31H29NO3/c1-34-30(33)27-16-15-26(35-20-25-14-12-22-7-5-6-10-29(22)32-25)18-28(27)31(23-8-3-2-4-9-23)19-21-11-13-24(31)17-21/h2-10,12,14-16,18,21,24H,11,13,17,19-20H2,1H3/t21-,24-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383879 (CHEMBL2031645) Show SMILES Nc1nnc(o1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:28.27:30,THB:23:24:28.27:30| Show InChI InChI=1S/C31H28N4O2/c32-30-35-34-29(37-30)26-15-14-25(36-19-24-13-11-21-6-4-5-9-28(21)33-24)17-27(26)31(22-7-2-1-3-8-22)18-20-10-12-23(31)16-20/h1-9,11,13-15,17,20,23H,10,12,16,18-19H2,(H2,32,35)/t20-,23-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383885 (CHEMBL2031437) Show SMILES COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1cccc(F)c1 |r,TLB:29:22:26.25:28,THB:21:22:26.25:28| Show InChI InChI=1S/C31H28FNO3/c1-35-30(34)27-14-13-26(36-19-25-12-10-21-5-2-3-8-29(21)33-25)17-28(27)31(18-20-9-11-23(31)15-20)22-6-4-7-24(32)16-22/h2-8,10,12-14,16-17,20,23H,9,11,15,18-19H2,1H3/t20-,23-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383915 (CHEMBL2031656) Show SMILES FC(F)n1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:33:26:30.29:32,THB:25:26:30.29:32| Show InChI InChI=1S/C31H27F2N5O/c32-30(33)38-36-29(35-37-38)26-15-14-25(39-19-24-13-11-21-6-4-5-9-28(21)34-24)17-27(26)31(22-7-2-1-3-8-22)18-20-10-12-23(31)16-20/h1-9,11,13-15,17,20,23,30H,10,12,16,18-19H2/t20-,23-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383913 (CHEMBL2031654) Show SMILES CCn1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:32:25:29.28:31,THB:24:25:29.28:31| Show InChI InChI=1S/C32H31N5O/c1-2-37-35-31(34-36-37)28-17-16-27(38-21-26-15-13-23-8-6-7-11-30(23)33-26)19-29(28)32(24-9-4-3-5-10-24)20-22-12-14-25(32)18-22/h3-11,13,15-17,19,22,25H,2,12,14,18,20-21H2,1H3/t22-,25-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383878 (CHEMBL2031441) Show SMILES COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1cccc(OC)c1 |r,TLB:29:22:26.25:28,THB:21:22:26.25:28| Show InChI InChI=1S/C32H31NO4/c1-35-26-8-5-7-23(17-26)32(19-21-10-12-24(32)16-21)29-18-27(14-15-28(29)31(34)36-2)37-20-25-13-11-22-6-3-4-9-30(22)33-25/h3-9,11,13-15,17-18,21,24H,10,12,16,19-20H2,1-2H3/t21-,24-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383905 (CHEMBL2031646) Show SMILES O=c1[nH]nc(o1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:28.27:30,THB:23:24:28.27:30| Show InChI InChI=1S/C31H27N3O3/c35-30-34-33-29(37-30)26-15-14-25(36-19-24-13-11-21-6-4-5-9-28(21)32-24)17-27(26)31(22-7-2-1-3-8-22)18-20-10-12-23(31)16-20/h1-9,11,13-15,17,20,23H,10,12,16,18-19H2,(H,34,35)/t20-,23-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383882 (CHEMBL2031661) Show SMILES CC1CC(C1)(c1ccccc1)c1cc(OCc2ccc3ccccc3n2)ccc1-c1n[nH]c(=O)o1 |(23.36,-10.77,;24.71,-11.55,;26.19,-11.15,;26.59,-12.64,;25.1,-13.03,;26.56,-14.18,;25.21,-14.91,;25.17,-16.45,;26.49,-17.25,;27.84,-16.5,;27.87,-14.97,;27.91,-11.84,;27.87,-10.3,;29.18,-9.5,;29.14,-7.96,;30.46,-7.16,;31.81,-7.89,;31.84,-9.44,;33.19,-10.17,;34.51,-9.37,;35.86,-10.11,;37.18,-9.3,;37.13,-7.75,;35.78,-7.02,;34.47,-7.82,;33.12,-7.09,;30.54,-10.24,;30.57,-11.78,;29.25,-12.58,;30.01,-13.91,;31.55,-13.84,;32.09,-15.29,;30.88,-16.25,;30.95,-17.79,;29.6,-15.39,)| Show InChI InChI=1S/C29H25N3O3/c1-19-16-29(17-19,21-8-3-2-4-9-21)25-15-23(13-14-24(25)27-31-32-28(33)35-27)34-18-22-12-11-20-7-5-6-10-26(20)30-22/h2-15,19H,16-18H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383912 (CHEMBL2031653) Show SMILES Cn1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:28.27:30,THB:23:24:28.27:30| Show InChI InChI=1S/C31H29N5O/c1-36-34-30(33-35-36)27-16-15-26(37-20-25-14-12-22-7-5-6-10-29(22)32-25)18-28(27)31(23-8-3-2-4-9-23)19-21-11-13-24(31)17-21/h2-10,12,14-16,18,21,24H,11,13,17,19-20H2,1H3/t21-,24-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383911 (CHEMBL2031652) Show SMILES C(Oc1ccc(-c2nnn[nH]2)c(c1)[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1)c1ccc2ccccc2n1 |r,TLB:20:13:17.16:19,THB:11:13:17.16:19| Show InChI InChI=1S/C30H27N5O/c1-2-7-22(8-3-1)30(18-20-10-12-23(30)16-20)27-17-25(14-15-26(27)29-32-34-35-33-29)36-19-24-13-11-21-6-4-5-9-28(21)31-24/h1-9,11,13-15,17,20,23H,10,12,16,18-19H2,(H,32,33,34,35)/t20-,23-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383908 (CHEMBL2031649) Show SMILES C(Oc1ccc(-c2nnco2)c(c1)[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1)c1ccc2ccccc2n1 |r,TLB:20:13:17.16:19,THB:11:13:17.16:19| Show InChI InChI=1S/C31H27N3O2/c1-2-7-23(8-3-1)31(18-21-10-12-24(31)16-21)28-17-26(14-15-27(28)30-34-32-20-36-30)35-19-25-13-11-22-6-4-5-9-29(22)33-25/h1-9,11,13-15,17,20-21,24H,10,12,16,18-19H2/t21-,24-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383894 (CHEMBL2031448) Show SMILES COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C(CC(C)(C)C)c1ccccc1 Show InChI InChI=1S/C30H31NO3/c1-30(2,3)19-27(21-10-6-5-7-11-21)26-18-24(16-17-25(26)29(32)33-4)34-20-23-15-14-22-12-8-9-13-28(22)31-23/h5-18,27H,19-20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50383899 (CHEMBL2031453) Show SMILES COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(CC(C)C1)c1ccccc1 |(25.11,-1.4,;24.46,-.01,;22.93,.12,;22.04,-1.14,;22.28,1.52,;23.59,2.31,;23.56,3.85,;22.2,4.59,;22.17,6.13,;23.48,6.94,;24.83,6.2,;24.87,4.66,;26.22,3.92,;27.53,4.72,;28.89,3.99,;30.2,4.79,;30.16,6.35,;28.8,7.08,;27.49,6.27,;26.14,7,;20.89,3.79,;20.93,2.26,;19.61,1.45,;19.21,2.93,;17.72,2.53,;16.39,3.29,;18.13,1.04,;19.59,-.09,;18.24,-.83,;18.21,-2.36,;19.52,-3.16,;20.87,-2.41,;20.9,-.87,)| Show InChI InChI=1S/C29H27NO3/c1-20-17-29(18-20,22-9-4-3-5-10-22)26-16-24(14-15-25(26)28(31)32-2)33-19-23-13-12-21-8-6-7-11-27(21)30-23/h3-16,20H,17-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair

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