Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'houston' and Initial = 'jg'   

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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400098 (CHEMBL2178422) Show SMILES N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400099 (CHEMBL2178420) Show SMILES Fc1cccc([C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3[C@H]2N=[N+]=[N-])c1F |r| Show InChI InChI=1S/C28H26F2N8O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(5-2-12-32-25)24(18)35-36-31)41-28(40)37-14-10-16(11-15-37)38-21-7-3-13-33-26(21)34-27(38)39/h1-7,12-13,16,18,22,24H,8-11,14-15H2,(H,33,34,39)/t18-,22+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400102 (CHEMBL2178424) Show SMILES O[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H27F2N5O4/c29-20-6-1-4-17(23(20)30)18-8-9-22(24-19(25(18)36)5-2-12-31-24)39-28(38)34-14-10-16(11-15-34)35-21-7-3-13-32-26(21)33-27(35)37/h1-7,12-13,16,18,22,25,36H,8-11,14-15H2,(H,32,33,37)/t18-,22+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400100 (CHEMBL2178421) Show SMILES O[C@H]1[C@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H27F2N5O4/c29-20-6-1-4-17(23(20)30)18-8-9-22(24-19(25(18)36)5-2-12-31-24)39-28(38)34-14-10-16(11-15-34)35-21-7-3-13-32-26(21)33-27(35)37/h1-7,12-13,16,18,22,25,36H,8-11,14-15H2,(H,32,33,37)/t18-,22-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400101 (CHEMBL2178423) Show SMILES O[C@@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H27F2N5O4/c29-20-6-1-4-17(23(20)30)18-8-9-22(24-19(25(18)36)5-2-12-31-24)39-28(38)34-14-10-16(11-15-34)35-21-7-3-13-32-26(21)33-27(35)37/h1-7,12-13,16,18,22,25,36H,8-11,14-15H2,(H,32,33,37)/t18-,22+,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037286 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037285 ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-13,18-19,21,24-27,35-36,43H,4,6,14-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/b13-12+/t18-,19+,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037279 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-11,18-21,24-27,35-36,43H,6,12-17H2,1-5H3,(H,37,38)(H,39,40)(H,41,42)/t18-,19+,20?,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037279 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-11,18-21,24-27,35-36,43H,6,12-17H2,1-5H3,(H,37,38)(H,39,40)(H,41,42)/t18-,19+,20?,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037286 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037289 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-20,22,26-29,38,45H,4,7,13-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037291 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-11,19-22,25-27,35,42H,6,12-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/t19-,20+,21?,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037291 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-11,19-22,25-27,35,42H,6,12-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/t19-,20+,21?,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037290 ((1S,3S,4S,5R,6R,7R)-1-((E)-(4R,5S)-4-Acetoxy-3,5-d...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(C\C=C(/C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,15,19-20,22,26-29,38,45H,7,13-14,16-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/b21-15+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037280 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES C[C@@H](Cc1ccccc1)[C@@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17+,18+,19+,23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037288 ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CC\C(C)=C\[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-13,17,19-20,22,25-27,35,42H,6,14-16,18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/b13-12+,21-17+/t19-,20+,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037282 ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(C\C=C(/C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-14,19-20,22,25-27,35,42H,6,15-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/b13-12+,21-14+/t19-,20+,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037284 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)[C@H](OC(C)=O)[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C25H32O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,12-13,16-19,27-28,35H,9-11H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t12?,13-,16-,17+,18+,19+,23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037281 ((1S,3S,4S,5R,6R,7R)-1-((R)-3,5-Dimethyl-6-phenyl-h...) Show SMILES CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)C[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C23H30O11/c1-12(10-13(2)11-14-6-4-3-5-7-14)8-9-21-15(24)16(25)23(34-21,20(30)31)22(32,19(28)29)17(33-21)18(26)27/h3-7,12-13,15-17,24-25,32H,8-11H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t12?,13-,15-,16-,17-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037283 ((1S,3S,4S,5R,6R,7R)-1-((E)-(S)-3,5-Dimethyl-6-phen...) Show SMILES C[C@@H](Cc1ccccc1)\C=C(/C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C23H28O11/c1-12(10-13(2)11-14-6-4-3-5-7-14)8-9-21-15(24)16(25)23(34-21,20(30)31)22(32,19(28)29)17(33-21)18(26)27/h3-7,10,13,15-17,24-25,32H,8-9,11H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b12-10+/t13-,15-,16-,17-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037284 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)[C@H](OC(C)=O)[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C25H32O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,12-13,16-19,27-28,35H,9-11H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t12?,13-,16-,17+,18+,19+,23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037283 ((1S,3S,4S,5R,6R,7R)-1-((E)-(S)-3,5-Dimethyl-6-phen...) Show SMILES C[C@@H](Cc1ccccc1)\C=C(/C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C23H28O11/c1-12(10-13(2)11-14-6-4-3-5-7-14)8-9-21-15(24)16(25)23(34-21,20(30)31)22(32,19(28)29)17(33-21)18(26)27/h3-7,10,13,15-17,24-25,32H,8-9,11H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b12-10+/t13-,15-,16-,17-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037292 ((1S,3S,4S,5R,6R,7R)-4,6,7-Trihydroxy-1-((4R,5S)-4-...) Show SMILES C[C@@H](Cc1ccccc1)[C@@H](O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C23H28O12/c1-11(14(24)12(2)10-13-6-4-3-5-7-13)8-9-21-15(25)16(26)23(35-21,20(31)32)22(33,19(29)30)17(34-21)18(27)28/h3-7,12,14-17,24-26,33H,1,8-10H2,2H3,(H,27,28)(H,29,30)(H,31,32)/t12-,14-,15+,16+,17+,21-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037281 ((1S,3S,4S,5R,6R,7R)-1-((R)-3,5-Dimethyl-6-phenyl-h...) Show SMILES CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)C[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C23H30O11/c1-12(10-13(2)11-14-6-4-3-5-7-14)8-9-21-15(24)16(25)23(34-21,20(30)31)22(32,19(28)29)17(33-21)18(26)27/h3-7,12-13,15-17,24-25,32H,8-11H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t12?,13-,15-,16-,17-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50400098 (CHEMBL2178422) Show SMILES N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 20 mins by fluorescence assay				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50400098 (CHEMBL2178422) Show SMILES N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using benzoylresorufin as substrate after 45 mins by fluorescence assay				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50283774 (4-Cyano-N-(2-piperidin-1-yl-phenyl)-benzamide | CH...) Show SMILES O=C(Nc1ccccc1N1CCCCC1)c1ccc(cc1)C#N Show InChI InChI=1S/C19H19N3O/c20-14-15-8-10-16(11-9-15)19(23)21-17-6-2-3-7-18(17)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-I				Bioorg Med Chem Lett 4: 2821-2824 (1994) Article DOI: 10.1016/S0960-894X(01)80820-9 BindingDB Entry DOI: 10.7270/Q2S182FS
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50283773 ((E)-1-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperaz...) Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)\C=C\c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H25ClN2O/c27-24-14-12-23(13-15-24)26(22-9-5-2-6-10-22)29-19-17-28(18-20-29)25(30)16-11-21-7-3-1-4-8-21/h1-16,26H,17-20H2/b16-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to displace [3H]-senktide binding to human Tachykinin receptor 3 expressed in CHO cells				Bioorg Med Chem Lett 4: 2821-2824 (1994) Article DOI: 10.1016/S0960-894X(01)80820-9 BindingDB Entry DOI: 10.7270/Q2S182FS
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Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400098 (CHEMBL2178422) Show SMILES N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 15 mins prior ...				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
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