Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'lim' and Initial = 'b'   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065136 (CHEMBL81455 | N-(2-Azepan-1-yl-ethyl)-4-iodo-N-met...) Show SMILES CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(I)cc1 Show InChI InChI=1S/C15H23IN2O2S/c1-17(12-13-18-10-4-2-3-5-11-18)21(19,20)15-8-6-14(16)7-9-15/h6-9H,2-5,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065134 (CHEMBL309983 | N-(2-Azepan-1-yl-ethyl)-4-bromo-N-m...) Show SMILES CN(CCN1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C15H23BrN2O2S/c1-17(12-13-18-10-4-2-3-5-11-18)21(19,20)15-8-6-14(16)7-9-15/h6-9H,2-5,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065140 (4-Iodo-N-(2-piperidin-1-yl-ethyl)-benzenesulfonami...) Show SMILES Ic1ccc(cc1)S(=O)(=O)NCCN1CCCCC1 Show InChI InChI=1S/C13H19IN2O2S/c14-12-4-6-13(7-5-12)19(17,18)15-8-11-16-9-2-1-3-10-16/h4-7,15H,1-3,8-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065144 (CHEMBL79660 | N-(2-Azepan-1-yl-ethyl)-4-bromo-benz...) Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCN1CCCCCC1 Show InChI InChI=1S/C14H21BrN2O2S/c15-13-5-7-14(8-6-13)20(18,19)16-9-12-17-10-3-1-2-4-11-17/h5-8,16H,1-4,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000069 (CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...) Show SMILES CN(CCN1CCCC1)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition Constant for 4-[125I]-IPBS binding to sigma 1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065142 (CHEMBL439765 | N-(2-Azepan-1-yl-ethyl)-4-iodo-benz...) Show SMILES Ic1ccc(cc1)S(=O)(=O)NCCN1CCCCCC1 Show InChI InChI=1S/C14H21IN2O2S/c15-13-5-7-14(8-6-13)20(18,19)16-9-12-17-10-3-1-2-4-11-17/h5-8,16H,1-4,9-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065135 (4-Iodo-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonam...) Show SMILES Ic1ccc(cc1)S(=O)(=O)NCCN1CCCC1 Show InChI InChI=1S/C12H17IN2O2S/c13-11-3-5-12(6-4-11)18(16,17)14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition Constant for 4-[125I]-IPBS binding to sigma 1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065141 (4-Bromo-N-(2-piperidin-1-yl-ethyl)-benzenesulfonam...) Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCN1CCCCC1 Show InChI InChI=1S/C13H19BrN2O2S/c14-12-4-6-13(7-5-12)19(17,18)15-8-11-16-9-2-1-3-10-16/h4-7,15H,1-3,8-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065143 (CHEMBL83448 | N-(2-Azepan-1-yl-ethyl)-3-iodo-4-met...) Show SMILES COc1ccc(cc1I)S(=O)(=O)N(C)CCN1CCCCCC1 Show InChI InChI=1S/C16H25IN2O3S/c1-18(11-12-19-9-5-3-4-6-10-19)23(20,21)14-7-8-16(22-2)15(17)13-14/h7-8,13H,3-6,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for its invitro competition binding studies using sigma-ligand (0.05-10000 nM) - [3H]-(+)-pentazocine (sigma1 receptor) in gui...				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065135 (4-Iodo-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonam...) Show SMILES Ic1ccc(cc1)S(=O)(=O)NCCN1CCCC1 Show InChI InChI=1S/C12H17IN2O2S/c13-11-3-5-12(6-4-11)18(16,17)14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065138 (CHEMBL81451 | N-(2-Diethylamino-ethyl)-4-iodo-benz...) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(I)cc1 Show InChI InChI=1S/C12H19IN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065133 (4-Bromo-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfona...) Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCN1CCCC1 Show InChI InChI=1S/C12H17BrN2O2S/c13-11-3-5-12(6-4-11)18(16,17)14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065139 (4-Bromo-N-(2-diethylamino-ethyl)-benzenesulfonamid...) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C12H19BrN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010774 (CHEMBL539782 | CHEMBL83430 | N,N'-Dibenzyl-guanidi...) Show SMILES N=C(NCc1ccccc1)NCc1ccccc1 Show InChI InChI=1S/C15H17N3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50065145 (3-Iodo-4-methoxy-N-(2-piperidin-1-yl-ethyl)-benzen...) Show SMILES COc1ccc(cc1I)S(=O)(=O)NCCN1CCCCC1 Show InChI InChI=1S/C14H21IN2O3S/c1-20-14-6-5-12(11-13(14)15)21(18,19)16-7-10-17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-(+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for its inhibition constant from the competition binding assays for sigma-1 receptor in guinea pig membranes.				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The George Washington University Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for its inhibition constant from the competition binding assays for sigma-1 receptor in guinea pig membranes.				J Med Chem 41: 2445-50 (1998) Article DOI: 10.1021/jm9800447 BindingDB Entry DOI: 10.7270/Q27P8XHM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pancreatic alpha-amylase (Sus scrofa (Pig))	BDBM50499987 (CHEMBL3742315) Show SMILES [H][C@]12[C@H](O)[C@](Oc3cc(O)c(C)c(OC)c13)(Oc1cc(OC)c3CC[C@H](Oc3c21)c1ccccc1)c1ccccc1 |r,THB:3:2:6.15.5:16.17.28| Show InChI InChI=1S/C33H30O7/c1-18-22(34)16-25-27(30(18)37-3)29-28-26(40-33(39-25,32(29)35)20-12-8-5-9-13-20)17-24(36-2)21-14-15-23(38-31(21)28)19-10-6-4-7-11-19/h4-13,16-17,23,29,32,34-35H,14-15H2,1-3H3/t23-,29-,32-,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Non-competitive inhibition of porcine pancreatic alpha-amylase by Lineweaver-Burk plot analysis				Bioorg Med Chem 23: 7641-9 (2015) Article DOI: 10.1016/j.bmc.2015.11.008 BindingDB Entry DOI: 10.7270/Q2TH8QPX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350458 (CHEMBL1814333) Show SMILES OCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C23H15Cl3F3N5O3/c24-12-3-1-11(2-4-12)18-14(10-35)17(32-34(18)16-6-5-13(25)9-15(16)26)19(36)31-22(7-8-22)20-30-21(37-33-20)23(27,28)29/h1-6,9,35H,7-8,10H2,(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350429 (CHEMBL1814154) Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C Show InChI InChI=1S/C23H22BrCl2N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350447 (CHEMBL1814329) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C23H15Cl3F3N5O2/c1-11-17(19(35)31-22(8-9-22)20-30-21(36-33-20)23(27,28)29)32-34(16-7-6-14(25)10-15(16)26)18(11)12-2-4-13(24)5-3-12/h2-7,10H,8-9H2,1H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50200841 (CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350449 (CHEMBL1814331) Show SMILES CC(C)(NC(=O)c1nn(c(c1CO)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C23H17Cl3F3N5O3/c1-22(2,20-30-21(37-33-20)23(27,28)29)31-19(36)17-14(10-35)18(11-3-5-12(24)6-4-11)34(32-17)16-8-7-13(25)9-15(16)26/h3-9,35H,10H2,1-2H3,(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350428 (CHEMBL1814153) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C Show InChI InChI=1S/C23H22Cl3N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50531540 (CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...) Show SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350448 (CHEMBL1814330) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CCC1)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C24H17Cl3F3N5O2/c1-12-18(20(36)32-23(9-2-10-23)21-31-22(37-34-21)24(28,29)30)33-35(17-8-7-15(26)11-16(17)27)19(12)13-3-5-14(25)6-4-13/h3-8,11H,2,9-10H2,1H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350450 (CHEMBL1814335) Show SMILES CCOC(=O)c1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C25H17Cl3F3N5O4/c1-2-39-21(38)17-18(20(37)33-24(9-10-24)22-32-23(40-35-22)25(29,30)31)34-36(16-8-7-14(27)11-15(16)28)19(17)12-3-5-13(26)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350430 (CHEMBL1814155) Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C Show InChI InChI=1S/C25H27Cl2N7O4S/c1-6-13-39(36,37)38-18-10-7-16(8-11-18)22-15(2)21(30-34(22)20-12-9-17(26)14-19(20)27)23(35)28-25(3,4)24-29-31-32-33(24)5/h7-12,14H,6,13H2,1-5H3,(H,28,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350436 (CHEMBL1814316) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nc(cs1)C(F)(F)F Show InChI InChI=1S/C24H18Cl3F3N4OS/c1-12-19(21(35)32-23(2,3)22-31-18(11-36-22)24(28,29)30)33-34(17-9-8-15(26)10-16(17)27)20(12)13-4-6-14(25)7-5-13/h4-11H,1-3H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350444 (CHEMBL1814326) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C23H17Cl3F3N5O2/c1-11-17(19(35)31-22(2,3)20-30-21(36-33-20)23(27,28)29)32-34(16-9-8-14(25)10-15(16)26)18(11)12-4-6-13(24)7-5-12/h4-10H,1-3H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350452 (CHEMBL1814338) Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C24H19Cl3F3N5O2/c1-4-17-18(20(36)33-23(2,3)21-32-22(37-34-21)24(28,29)30)31-19(15-10-7-13(26)11-16(15)27)35(17)14-8-5-12(25)6-9-14/h5-11H,4H2,1-3H3,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350456 (CHEMBL1814332) Show SMILES COCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C24H19Cl3F3N5O3/c1-23(2,21-31-22(38-34-21)24(28,29)30)32-20(36)18-15(11-37-3)19(12-4-6-13(25)7-5-12)35(33-18)17-9-8-14(26)10-16(17)27/h4-10H,11H2,1-3H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350432 (CHEMBL1814157) Show SMILES CCc1c(nn(c1-c1ccc(OC)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C Show InChI InChI=1S/C24H25Cl2N7O2/c1-6-17-20(22(34)27-24(2,3)23-28-30-31-32(23)4)29-33(19-12-9-15(25)13-18(19)26)21(17)14-7-10-16(35-5)11-8-14/h7-13H,6H2,1-5H3,(H,27,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350446 (CHEMBL1814328) Show SMILES CCC(C)(NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F Show InChI InChI=1S/C24H19Cl3F3N5O2/c1-4-23(3,21-31-22(37-34-21)24(28,29)30)32-20(36)18-12(2)19(13-5-7-14(25)8-6-13)35(33-18)17-10-9-15(26)11-16(17)27/h5-11H,4H2,1-3H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350445 (CHEMBL1814327) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C23H17Cl3F3N5O2/c1-11-17(19(35)30-22(2,3)20-31-32-21(36-20)23(27,28)29)33-34(16-9-8-14(25)10-15(16)26)18(11)12-4-6-13(24)7-5-12/h4-10H,1-3H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350457 (CHEMBL1814318) Show SMILES CCOC(=O)Cc1csc(n1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C27H25Cl3N4O3S/c1-5-37-22(35)13-19-14-38-26(31-19)27(3,4)32-25(36)23-15(2)24(16-6-8-17(28)9-7-16)34(33-23)21-11-10-18(29)12-20(21)30/h6-12,14H,5,13H2,1-4H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350440 (CHEMBL1814322) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1cn2ccsc2n1 Show InChI InChI=1S/C25H20Cl3N5OS/c1-14-21(23(34)30-25(2,3)20-13-32-10-11-35-24(32)29-20)31-33(19-9-8-17(27)12-18(19)28)22(14)15-4-6-16(26)7-5-15/h4-13H,1-3H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350438 (CHEMBL1814320) Show SMILES Cc1ncc(s1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H21Cl3N4OS/c1-13-21(23(32)29-24(3,4)20-12-28-14(2)33-20)30-31(19-10-9-17(26)11-18(19)27)22(13)15-5-7-16(25)8-6-15/h5-12H,1-4H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350454 (CHEMBL1814340) Show SMILES CC(C)(NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H15Cl3F3N5O2/c1-21(2,19-31-32-20(35-19)22(26,27)28)30-18(34)15-10-33(16-8-7-13(24)9-14(16)25)17(29-15)11-3-5-12(23)6-4-11/h3-10H,1-2H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2 (Homo sapiens (Human))	BDBM50531540 (CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...) Show SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Mansoura University Curated by ChEMBL					Assay Description Inhibition of MEK2 (unknown origin)				Eur J Med Chem 168: 315-329 (2019) Article DOI: 10.1016/j.ejmech.2019.02.050 BindingDB Entry DOI: 10.7270/Q28W3HSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350435 (CHEMBL1814315) Show SMILES Cc1csc(n1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H21Cl3N4OS/c1-13-12-33-23(28-13)24(3,4)29-22(32)20-14(2)21(15-5-7-16(25)8-6-15)31(30-20)19-10-9-17(26)11-18(19)27/h5-12H,1-4H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50250183 (CHEMBL503188 | N-{3-[(4S)-4-Benzylamino-1-hydroxy-...) Show SMILES CC(C)CC[C@@]1(NCc2ccccc2)C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)c2ccccc12 |r,t:18| Show InChI InChI=1S/C30H32N4O6S2/c1-19(2)15-16-30(31-18-20-9-5-4-6-10-20)23-12-8-7-11-22(23)27(35)26(28(30)36)29-32-24-14-13-21(33-41(3,37)38)17-25(24)42(39,40)34-29/h4-14,17,19,26,31,33H,15-16,18H2,1-3H3,(H,32,34)/t26?,30-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV1b Con1 NS5B assessed as [3H]UTP incorporation into RNA by scintillation counting				J Med Chem 52: 3174-83 (2009) Article DOI: 10.1021/jm801485z BindingDB Entry DOI: 10.7270/Q2ZW1MV9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350455 (CHEMBL1814158) Show SMILES CCOC(=O)c1ccc(cc1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C Show InChI InChI=1S/C26H27Cl2N7O3/c1-6-18-21(23(36)29-26(3,4)25-30-32-33-34(25)5)31-35(20-13-12-17(27)14-19(20)28)22(18)15-8-10-16(11-9-15)24(37)38-7-2/h8-14H,6-7H2,1-5H3,(H,29,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB 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	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR in human RPMI-8226 cells incubated for 2 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112062 BindingDB Entry DOI: 10.7270/Q25M69BV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50249586 (CHEMBL504729 | N-{3-[4-[(2,6-Dimethylbenzyl)amino]...) Show SMILES Cc1cccc(C)c1CNC1(CCC(C)(C)C)C(=O)C(C(=O)c2ccccc12)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:31| Show InChI InChI=1S/C33H38N4O6S2/c1-20-10-9-11-21(2)24(20)19-34-33(17-16-32(3,4)5)25-13-8-7-12-23(25)29(38)28(30(33)39)31-35-26-15-14-22(36-44(6,40)41)18-27(26)45(42,43)37-31/h7-15,18,28,34,36H,16-17,19H2,1-6H3,(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV1b Con1 NS5B assessed as [3H]UTP incorporation into RNA by scintillation counting				J Med Chem 52: 3174-83 (2009) Article DOI: 10.1021/jm801485z BindingDB Entry DOI: 10.7270/Q2ZW1MV9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350437 (CHEMBL1814317) Show SMILES CCOC(=O)c1sc(nc1C)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C27H25Cl3N4O3S/c1-6-37-25(36)23-15(3)31-26(38-23)27(4,5)32-24(35)21-14(2)22(16-7-9-17(28)10-8-16)34(33-21)20-12-11-18(29)13-19(20)30/h7-13H,6H2,1-5H3,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50350431 (CHEMBL1814156) Show SMILES CCc1c(nn(c1-c1ccc(cc1)C#N)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C Show InChI InChI=1S/C24H22Cl2N8O/c1-5-17-20(22(35)28-24(2,3)23-29-31-32-33(23)4)30-34(19-11-10-16(25)12-18(19)26)21(17)15-8-6-14(13-27)7-9-15/h6-12H,5H2,1-4H3,(H,28,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 21: 4913-8 (2011) Article DOI: 10.1016/j.bmcl.2011.06.017 BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
					More data for this Ligand-Target Pair

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