Compile Data Set for Download or QSAR

Found 1603 hits with Last Name = 'hof' and Initial = 'f'   

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
Metabotropic glutamate receptor 1 (RAT)	BDBM86211 (CAS_52809-07-1 | NSC_40539 | Quisqualate) Show SMILES NC(Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 1 (RAT)	BDBM50002371 (2-aminopentanedioic acidglutamic acid | CHEMBL2763...) Show SMILES NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21279 (1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...) Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50171313 ((3-Ethyl-2-methyl-quinolin-6-yl)-(4-methoxy-cycloh...) Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(20.81,-1.24,;19.47,-.49,;18.14,-1.27,;16.81,-.5,;15.48,-1.27,;14.15,-.5,;12.82,-1.27,;12.82,-2.81,;14.15,-3.58,;15.48,-2.81,;16.81,-3.58,;18.14,-2.81,;19.48,-3.58,;11.48,-.5,;11.48,1.04,;10.02,-1.13,;8.73,-.29,;7.33,-1.17,;7.33,-2.71,;8.69,-3.48,;10.02,-2.69,;6,-3.48,;4.67,-2.71,)| Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro affinity for cloned rat metabotropic glutamate 1 receptors stably expressed on CHO cells determined using [3H]-R214127 as radioligand				J Med Chem 48: 5096-9 (2005) Article DOI: 10.1021/jm050263+ BindingDB Entry DOI: 10.7270/Q29S1QJK
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50089896 (4-(Amino-carboxy-methyl)-3-methyl-benzoic acid((+)...) Show SMILES Cc1cc(ccc1C(N)C(O)=O)C(O)=O Show InChI InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50163606 (1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-ph...) Show SMILES O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1 Show InChI InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50231744 (CHEMBL399160 | NPS 2390 | quinoxaline-2-carboxylic...) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123685 (4-Bromo-5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl...) Show SMILES Clc1ccc(cc1)-c1c(Br)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C21H18BrCl3N4O/c22-18-19(21(30)27-28-10-2-1-3-11-28)26-29(17-9-8-15(24)12-16(17)25)20(18)13-4-6-14(23)7-5-13/h4-9,12H,1-3,10-11H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					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
Metabotropic glutamate receptor 1 (RAT)	BDBM50030628 ((S)-4C3HPG | 4-(Amino-carboxy-methyl)-2-hydroxy-be...) Show SMILES NC(C(O)=O)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM86212 (1S, 3R-ACPD | CAS_104766 | NSC_104766) Show SMILES NC1(CCC(C1)C(O)=O)C(O)=O Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					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 1 (Rattus norvegicus (rat))	BDBM50123690 (1-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-met...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H24Cl2N4O2/c1-15-21(23(30)27-28-12-4-3-5-13-28)26-29(20-11-8-17(24)14-19(20)25)22(15)16-6-9-18(31-2)10-7-16/h6-11,14H,3-5,12-13H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50030629 ((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...) Show SMILES NC(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					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
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123688 (4-Bromo-1-(2,4-dichloro-phenyl)-5-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)-c1c(Br)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O2/c1-32-17-9-6-15(7-10-17)22-20(24)21(23(31)28-29-12-4-2-3-5-13-29)27-30(22)19-11-8-16(25)14-18(19)26/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123693 (4-Bromo-1-(2-chloro-phenyl)-5-(4-methoxy-phenyl)-1...) Show SMILES COc1ccc(cc1)-c1c(Br)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22BrClN4O2/c1-30-16-11-9-15(10-12-16)21-19(23)20(22(29)26-27-13-5-2-6-14-27)25-28(21)18-8-4-3-7-17(18)24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123689 (1-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-met...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C24H26Cl2N4O2/c1-16-22(24(31)28-29-13-5-3-4-6-14-29)27-30(21-12-9-18(25)15-20(21)26)23(16)17-7-10-19(32-2)11-8-17/h7-12,15H,3-6,13-14H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123691 (5-Benzo[1,3]dioxol-5-yl-1-(2,4-dichloro-phenyl)-4-...) Show SMILES Cc1c(nn(c1-c1ccc2OCOc2c1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H22Cl2N4O3/c1-14-21(23(30)27-28-9-3-2-4-10-28)26-29(18-7-6-16(24)12-17(18)25)22(14)15-5-8-19-20(11-15)32-13-31-19/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123684 (1-(2-Chloro-phenyl)-5-(4-methoxy-phenyl)-4-methyl-...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H25ClN4O2/c1-16-21(23(29)26-27-14-6-3-7-15-27)25-28(20-9-5-4-8-19(20)24)22(16)17-10-12-18(30-2)13-11-17/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123692 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-pyr...) Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C21H19Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Mus musculus (mouse))	BDBM50442299 (CHEMBL2442750) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from mouse CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
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
Beta-secretase 1 (Homo sapiens (Human))	BDBM17786 ((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...) Show SMILES CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38| Show InChI InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	11	-45.0	n/a	n/a	n/a	n/a	n/a	5.0	22
Johnson & Johnson Pharmaceutical					Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst...				J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Metabotropic glutamate receptor 1 (RAT)	BDBM50212323 ((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...) Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1 Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					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 1 (Rattus norvegicus (rat))	BDBM50123683 (1-(2-Chloro-phenyl)-4-fluoro-5-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1c(F)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22ClFN4O2/c1-30-16-11-9-15(10-12-16)21-19(24)20(22(29)26-27-13-5-2-6-14-27)25-28(21)18-8-4-3-7-17(18)23/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					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
Beta-secretase 1 (Homo sapiens (Human))	BDBM17785 (2-aminoquinazoline, 3 | 4-(2-amino-6-phenoxy-3,4-d...) Show SMILES CN(C1CCCCC1)C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |c:38| Show InChI InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	5.0	22
Johnson & Johnson Pharmaceutical					Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst...				J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296848 (2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442299 (CHEMBL2442750) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123687 (1-(2-Fluoro-phenyl)-5-(4-methoxy-phenyl)-4-methyl-...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1F)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H25FN4O2/c1-16-21(23(29)26-27-14-6-3-7-15-27)25-28(20-9-5-4-8-19(20)24)22(16)17-10-12-18(30-2)13-11-17/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					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
Metabotropic glutamate receptor 1 (RAT)	BDBM50030630 ((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...) Show SMILES NC1(CCc2cc(ccc12)C(O)=O)C(O)=O Show InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	98.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50296851 (2-(1-(4-chlorophenylsulfonyl)-2-methyl-1H-pyrrolo[...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123694 (1-(2,4-Dichloro-phenyl)-5-(4-hydroxy-phenyl)-4-met...) Show SMILES Cc1c(nn(c1-c1ccc(O)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-20(22(30)26-27-11-3-2-4-12-27)25-28(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(29)9-6-15/h5-10,13,29H,2-4,11-12H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442309 (CHEMBL2442743) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c1-10-13(8-16(22)23)12-3-2-6-20-17(12)21(10)9-11-4-5-14(18)15(19)7-11/h2-7H,8-9H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442310 (CHEMBL2442742) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O2/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442300 (CHEMBL2442751) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H15N3O4/c1-11-15(9-16(21)22)14-3-2-8-18-17(14)19(11)10-12-4-6-13(7-5-12)20(23)24/h2-8H,9-10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442302 (CHEMBL2442736) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN2O2/c1-11-15(9-16(21)22)14-3-2-8-19-17(14)20(11)10-12-4-6-13(18)7-5-12/h2-8H,9-10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM17784 (2-aminoquinazoline, 2 | 3-[(2-amino-6-phenoxy-3,4-...) Show SMILES CN(C1CCCCC1)C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3N=C2N)c1 |c:34| Show InChI InChI=1S/C29H32N4O2/c1-32(24-11-4-2-5-12-24)28(34)22-10-8-9-21(17-22)19-33-20-23-18-26(15-16-27(23)31-29(33)30)35-25-13-6-3-7-14-25/h3,6-10,13-18,24H,2,4-5,11-12,19-20H2,1H3,(H2,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	158	-38.4	n/a	n/a	n/a	n/a	n/a	5.0	22
Johnson & Johnson Pharmaceutical					Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst...				J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50030627 ((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...) Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP Ki Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442303 (CHEMBL2442752) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O4S/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)28(26,27)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50442301 (CHEMBL2442748) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)=O Show InChI InChI=1S/C18H18N2O3S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)24(2)23/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	249	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair

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