Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'kotsikorou' and Initial = 'e'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas-Pan American Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor expressed in CHO cells				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266832 (1-(2,4-Dichlorophenyl)-4-cyano-5-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1 Show InChI InChI=1S/C22H19Cl2N5O2/c1-31-16-7-4-14(5-8-16)21-17(13-25)20(22(30)27-28-10-2-3-11-28)26-29(21)19-9-6-15(23)12-18(19)24/h4-9,12H,2-3,10-11H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas-Pan American Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267374 (1-(2-bromophenyl)-4-cyano-5-(4-methoxyphenyl)-N-(p...) Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1Br)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H22BrN5O2/c1-31-17-11-9-16(10-12-17)22-18(15-25)21(23(30)27-28-13-5-2-6-14-28)26-29(22)20-8-4-3-7-19(20)24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25299 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266833 (1-(2,4-Dichlorophenyl)-4-cyano-5-(4-(fluoromethoxy...) Show SMILES FCOc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H20Cl2FN5O2/c24-16-6-9-20(19(25)12-16)31-22(15-4-7-17(8-5-15)33-14-26)18(13-27)21(28-31)23(32)29-30-10-2-1-3-11-30/h4-9,12H,1-3,10-11,14H2,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267373 (4-cyano-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267375 (1-(2-Chloro-4-fluorophenyl)-4-cyano-5-(4-methoxyph...) Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(F)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H21ClFN5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(25)13-19(20)24/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266809 (1-(2,4-Dichlorophenyl)-4-cyano-5-(4-bromophenyl)-N...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C22H18BrCl2N5O/c23-15-6-4-14(5-7-15)21-17(13-26)20(22(31)28-29-10-2-1-3-11-29)27-30(21)19-9-8-16(24)12-18(19)25/h4-9,12H,1-3,10-11H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50493249 (CHEMBL2420249) Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,TLB:8:7:6:2.3| Show InChI InChI=1S/C30H35ClN2O/c1-19-6-8-21(9-7-19)17-33-18-23(15-26(33)22-10-11-25(31)20(2)14-22)27(34)32-28-29(3,4)24-12-13-30(28,5)16-24/h6-11,14-15,18,24,28H,12-13,16-17H2,1-5H3,(H,32,34)/t24-,28-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas-Pan American Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM12576 (Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25310 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H3-,10,11,12,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165353 (CHEMBL373332 | hydrogen 2-(3-butylpyridinium-1-yl)...) Show SMILES CCCCc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C11H19NO7P2/c1-2-3-5-10-6-4-7-12(8-10)9-11(13,20(14,15)16)21(17,18)19/h4,6-8,13H,2-3,5,9H2,1H3,(H3-,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165352 (CHEMBL192043 | hydrogen 2-(3-ethylpyridinium-1-yl)...) Show SMILES CCc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C9H15NO7P2/c1-2-8-4-3-5-10(6-8)7-9(11,18(12,13)14)19(15,16)17/h3-6,11H,2,7H2,1H3,(H3-,12,13,14,15,16,17)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266864 (5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-...) Show SMILES Clc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H18Cl3N5O/c23-15-6-4-14(5-7-15)21-17(13-26)20(22(31)28-29-10-2-1-3-11-29)27-30(21)19-9-8-16(24)12-18(19)25/h4-9,12H,1-3,10-11H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50493245 (CHEMBL2420251) Show SMILES [H][C@]12CC[C@](C)([C@@H](C1)NC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)n1)C2(C)C |r,TLB:8:6:32:2.3| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)16-24(32-33)27(34)31-26-15-22-12-13-29(26,5)28(22,3)4/h6-11,14,16,22,26H,12-13,15,17H2,1-5H3,(H,31,34)/t22-,26+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas-Pan American Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165349 (CHEMBL363145 | hydrogen 1-hydroxy-2-(3-methoxypyri...) Show SMILES COc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H13NO8P2/c1-17-7-3-2-4-9(5-7)6-8(10,18(11,12)13)19(14,15)16/h2-5,10H,6H2,1H3,(H3-,11,12,13,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266807 (1-(2-Bromo-4-fluorophenyl)-4-cyano-5-(4-methoxyphe...) Show SMILES COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(F)cc1Br)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H21BrFN5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(25)13-19(20)24/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266808 (1-(2,4-Dichlorophenyl)-4-cyano-5-(4-iodophenyl)-N-...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-c1ccc(I)cc1 Show InChI InChI=1S/C22H18Cl2IN5O/c23-15-6-9-19(18(24)12-15)30-21(14-4-7-16(25)8-5-14)17(13-26)20(27-30)22(31)28-29-10-2-1-3-11-29/h4-9,12H,1-3,10-11H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165342 (CHEMBL193356 | hydrogen 1-hydroxy-2-(3-methylpyrid...) Show SMILES Cc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H13NO7P2/c1-7-3-2-4-9(5-7)6-8(10,17(11,12)13)18(14,15)16/h2-5,10H,6H2,1H3,(H3-,11,12,13,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165340 (BPH-461 | CHEMBL193722 | hydrogen 2-(3-fluoropyrid...) Show SMILES OC(C[n+]1cccc(F)c1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C7H10FNO7P2/c8-6-2-1-3-9(4-6)5-7(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H3-,11,12,13,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165350 (CHEMBL192938 | hydrogen 1-hydroxy-2-[3-(3-methylbe...) Show SMILES Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c2)c1 Show InChI InChI=1S/C15H19NO7P2/c1-12-4-2-5-13(8-12)9-14-6-3-7-16(10-14)11-15(17,24(18,19)20)25(21,22)23/h2-8,10,17H,9,11H2,1H3,(H3-,18,19,20,21,22,23)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165351 (CHEMBL193619 | sodium hydrogen 1-hydroxy-2-[3-(4-o...) Show SMILES OC(C[n+]1cccc(c1)-c1ccc([O-])cc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C13H15NO8P2/c15-12-5-3-10(4-6-12)11-2-1-7-14(8-11)9-13(16,23(17,18)19)24(20,21)22/h1-8,16H,9H2,(H4-,15,17,18,19,20,21,22)/p-1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165348 (CHEMBL425896 | hydrogen 1-hydroxy-2-isoquinolinium...) Show SMILES OC(C[n+]1ccc2ccccc2c1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C11H13NO7P2/c13-11(20(14,15)16,21(17,18)19)8-12-6-5-9-3-1-2-4-10(9)7-12/h1-7,13H,8H2,(H3-,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50493248 (CHEMBL2420252) Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(n1)-c1ccccc1)C2(C)C |r,TLB:8:7:3.2:6| Show InChI InChI=1S/C27H30ClN3O/c1-17-14-18(10-11-21(17)28)23-15-22(30-31(23)20-8-6-5-7-9-20)24(32)29-25-26(2,3)19-12-13-27(25,4)16-19/h5-11,14-15,19,25H,12-13,16H2,1-4H3,(H,29,32)/t19-,25-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas-Pan American Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25313 ((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...) Show SMILES NCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165338 (CHEMBL190258 | hydrogen 2-(4-benzylpyridinium-1-yl...) Show SMILES OC(C[n+]1ccc(Cc2ccccc2)cc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C14H17NO7P2/c16-14(23(17,18)19,24(20,21)22)11-15-8-6-13(7-9-15)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H3-,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266830 (1-(2,4-Dichlorophenyl)-4-cyano-5-(4-iodophenyl)-N-...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCOCC2)c(C#N)c1-c1ccc(I)cc1 Show InChI InChI=1S/C21H16Cl2IN5O2/c22-14-3-6-18(17(23)11-14)29-20(13-1-4-15(24)5-2-13)16(12-25)19(26-29)21(30)27-28-7-9-31-10-8-28/h1-6,11H,7-10H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165339 (CHEMBL363434 | hydrogen 2-(3-benzylpyridinium-1-yl...) Show SMILES OC(C[n+]1cccc(Cc2ccccc2)c1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C14H17NO7P2/c16-14(23(17,18)19,24(20,21)22)11-15-8-4-7-13(10-15)9-12-5-2-1-3-6-12/h1-8,10,16H,9,11H2,(H3-,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM12581 ((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...) Show SMILES NCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165341 (CHEMBL193131 | hydrogen 2-(6-chloroquinolinium-1-y...) Show SMILES OC(C[n+]1cccc2cc(Cl)ccc12)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C11H12ClNO7P2/c12-9-3-4-10-8(6-9)2-1-5-13(10)7-11(14,21(15,16)17)22(18,19)20/h1-6,14H,7H2,(H3-,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50267372 (1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...) Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 Show InChI InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	422	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50493247 (CHEMBL2420248) Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](\C=C\c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)n1)C2(C)C |r,TLB:8:7:6:2.3| Show InChI InChI=1S/C30H35ClN2/c1-20-6-8-22(9-7-20)19-33-27(23-10-12-26(31)21(2)16-23)17-25(32-33)11-13-28-29(3,4)24-14-15-30(28,5)18-24/h6-13,16-17,24,28H,14-15,18-19H2,1-5H3/b13-11+/t24-,28-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	527	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas-Pan American Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25297 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266831 (1-(2,4-Dichlorophenyl)-4-cyano-5-(4-bromophenyl)-N...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCOCC2)c(C#N)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C21H16BrCl2N5O2/c22-14-3-1-13(2-4-14)20-16(12-25)19(21(30)27-28-7-9-31-10-8-28)26-29(20)18-6-5-15(23)11-17(18)24/h1-6,11H,7-10H2,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50493246 (CHEMBL2420250) Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](\C=C\c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,TLB:8:7:6:2.3| Show InChI InChI=1S/C31H36ClN/c1-21-6-8-23(9-7-21)19-33-20-24(17-28(33)25-11-12-27(32)22(2)16-25)10-13-29-30(3,4)26-14-15-31(29,5)18-26/h6-13,16-17,20,26,29H,14-15,18-19H2,1-5H3/b13-10+/t26-,29-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas-Pan American Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50266810 (1-(2-Bromophenyl)-5-(4-methoxyphenyl)-N3-(piperidi...) Show SMILES COc1ccc(cc1)-c1c(C(N)=O)c(nn1-c1ccccc1Br)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H24BrN5O3/c1-32-16-11-9-15(10-12-16)21-19(22(25)30)20(23(31)27-28-13-5-2-6-14-28)26-29(21)18-8-4-3-7-17(18)24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,25,30)(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Eur J Med Chem 44: 593-608 (2009) Article DOI: 10.1016/j.ejmech.2008.03.040 BindingDB Entry DOI: 10.7270/Q2K35TFK
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50422472 (CHEMBL100827) Show SMILES CN(CCCSc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H23NO7P2S/c1-14(9-5-11-24-12-6-3-2-4-7-12)10-8-13(15,22(16,17)18)23(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25290 (CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[m...) Show SMILES CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50098389 (1-hydroxy-2-(1H-imidazol-5-yl)ethane-1,1-diyldipho...) Show SMILES OC(Cc1cnc[nH]1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)1-4-2-6-3-7-4/h2-3,8H,1H2,(H,6,7)(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50422449 (CHEMBL101886) Show SMILES CN(CCCOc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H23NO8P2/c1-14(9-5-11-22-12-6-3-2-4-7-12)10-8-13(15,23(16,17)18)24(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50422469 (CHEMBL101472) Show SMILES CN(CCCOc1ccc(F)cc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H22FNO8P2/c1-15(8-2-10-23-12-5-3-11(14)4-6-12)9-7-13(16,24(17,18)19)25(20,21)22/h3-6,16H,2,7-10H2,1H3,(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50422457 (CHEMBL101230) Show SMILES CN(CCCc1ccc(Cl)cc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H22ClNO7P2/c1-15(9-2-3-11-4-6-12(14)7-5-11)10-8-13(16,23(17,18)19)24(20,21)22/h4-7,16H,2-3,8-10H2,1H3,(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50422470 (CHEMBL100508) Show SMILES CN(CCSc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C12H21NO7P2S/c1-13(9-10-23-11-5-3-2-4-6-11)8-7-12(14,21(15,16)17)22(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50422463 (CHEMBL101207) Show SMILES Cn1ccnc1CC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H12N2O7P2/c1-8-3-2-7-5(8)4-6(9,16(10,11)12)17(13,14)15/h2-3,9H,4H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50117257 (1-hydroxy-3-(methyl(3-phenylpropyl)amino)propane-1...) Show SMILES CN(CCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H23NO7P2/c1-14(10-5-8-12-6-3-2-4-7-12)11-9-13(15,22(16,17)18)23(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Negative logarithm of inhibitory concentration against bone resorption				J Med Chem 46: 2932-44 (2003) Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD
					More data for this Ligand-Target Pair				3D Structure (docked)

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