Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'jan' and Initial = 'jj'   

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 1 (Homo sapiens (Human))	BDBM50279126 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...) Show SMILES CN1C(=NC(=S)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19Cl3N4S/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279166 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=S)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21Cl3N4S/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279205 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C25H23Cl3N4O/c1-2-18-21(23-29-24(33)25(30-23)12-4-3-5-13-25)31-32(20-11-10-17(27)14-19(20)28)22(18)15-6-8-16(26)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,29,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279086 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					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	n/a	n/a	13.2	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279204 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C24H21Cl3N4O/c1-2-17-20(22-28-23(32)24(29-22)11-3-4-12-24)30-31(19-10-9-16(26)13-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,28,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.6	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279125 (2-[1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-trifluoro...) Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C23H19Cl2F3N4O/c1-12-18(20-29-21(33)22(2,3)31(20)4)30-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(8-6-13)23(26,27)28/h5-11H,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15.9	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279123 (2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-et...) Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H21BrCl2N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16.3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279203 (6-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C23H19Cl3N4O/c1-2-16-19(21-27-22(31)23(28-21)10-3-11-23)29-30(18-9-8-15(25)12-17(18)26)20(16)13-4-6-14(24)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,27,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.8	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247630 (CHEMBL4068500) Show SMILES Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C25H44N10/c1-20-17-24(31-22-9-14-27-15-10-22)32-25(30-20)29-18-23-19-35(34-33-23)16-6-12-26-11-5-13-28-21-7-3-2-4-8-21/h17,19,21-22,26-28H,2-16,18H2,1H3,(H2,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247631 (CHEMBL4060426) Show SMILES Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C28H49N11O/c1-22-19-27(34-24-9-16-38(17-10-24)18-11-26(29)40)35-28(33-22)32-20-25-21-39(37-36-25)15-6-13-30-12-5-14-31-23-7-3-2-4-8-23/h19,21,23-24,30-31H,2-18,20H2,1H3,(H2,29,40)(H2,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279202 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:25| Show InChI InChI=1S/C22H19Cl3N4O/c1-4-15-18(20-26-21(30)22(2,3)27-20)28-29(17-10-9-14(24)11-16(17)25)19(15)12-5-7-13(23)8-6-12/h5-11H,4H2,1-3H3,(H,26,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32.6	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279239 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...) Show SMILES CN1C(=NC(C)(C)C1=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-22(2,3)21(30)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33.6	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279240 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1C |t:25| Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-23(2,3)22(31)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33.8	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247610 (CHEMBL4070263) Show SMILES C(CNCCCn1cc(CNc2nccc(NC3CCNCC3)n2)nn1)CNC1CCCCC1 Show InChI InChI=1S/C24H42N10/c1-2-6-20(7-3-1)27-13-4-11-25-12-5-17-34-19-22(32-33-34)18-29-24-28-16-10-23(31-24)30-21-8-14-26-15-9-21/h10,16,19-21,25-27H,1-9,11-15,17-18H2,(H2,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247595 (CHEMBL4064397) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C30H51N11O3/c1-23-19-27(36-25-10-17-40(18-11-25)28(42)9-15-32-21-29(43)44)37-30(35-23)34-20-26-22-41(39-38-26)16-6-13-31-12-5-14-33-24-7-3-2-4-8-24/h19,22,24-25,31-33H,2-18,20-21H2,1H3,(H,43,44)(H2,34,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279167 (2-[4-Bromo-5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...) Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1Br)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C21H16BrCl3N4O/c1-21(2)20(30)26-19(28(21)3)17-16(22)18(11-4-6-12(23)7-5-11)29(27-17)15-9-8-13(24)10-14(15)25/h4-10H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42.5	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279168 (2-[5-(4-Chloro-phenyl)-4-cyclopropyl-1-(2,4-dichlo...) Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C1CC1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C24H21Cl3N4O/c1-24(2)23(32)28-22(30(24)3)20-19(13-4-5-13)21(14-6-8-15(25)9-7-14)31(29-20)18-11-10-16(26)12-17(18)27/h6-13H,4-5H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43.9	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247609 (CHEMBL4091201) Show SMILES CCc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C26H46N10/c1-2-21-18-25(31-23-10-15-28-16-11-23)33-26(32-21)30-19-24-20-36(35-34-24)17-7-13-27-12-6-14-29-22-8-4-3-5-9-22/h18,20,22-23,27-29H,2-17,19H2,1H3,(H2,30,31,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279087 (2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-me...) Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19BrCl2N4O/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47.4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247621 (CHEMBL4078499) Show SMILES CCCN1CCC(CC1)Nc1cc(C)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C28H50N10/c1-3-16-37-18-11-25(12-19-37)33-27-20-23(2)32-28(34-27)31-21-26-22-38(36-35-26)17-8-14-29-13-7-15-30-24-9-5-4-6-10-24/h20,22,24-25,29-30H,3-19,21H2,1-2H3,(H2,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279169 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:24| Show InChI InChI=1S/C21H17Cl3N4O/c1-11-17(19-25-20(29)21(2,3)26-19)27-28(16-9-8-14(23)10-15(16)24)18(11)12-4-6-13(22)7-5-12/h4-10H,1-3H3,(H,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53.4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279010 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...) Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54.7	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247601 (CHEMBL4075454) Show SMILES CC(C)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C27H48N10/c1-21(2)25-18-26(32-23-10-15-29-16-11-23)34-27(33-25)31-19-24-20-37(36-35-24)17-7-13-28-12-6-14-30-22-8-4-3-5-9-22/h18,20-23,28-30H,3-17,19H2,1-2H3,(H2,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247617 (CHEMBL4090175) Show SMILES Cc1cc(NC2CCN(CCCCCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C31H54N10O2/c1-25-22-29(36-27-13-20-40(21-14-27)18-7-3-6-12-30(42)43)37-31(35-25)34-23-28-24-41(39-38-28)19-9-16-32-15-8-17-33-26-10-4-2-5-11-26/h22,24,26-27,32-33H,2-21,23H2,1H3,(H,42,43)(H2,34,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247623 (CHEMBL4098404) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CC[C@H](N)C(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 |r| Show InChI InChI=1S/C30H51N11O3/c1-22-19-27(36-24-11-17-40(18-12-24)28(42)10-9-26(31)29(43)44)37-30(35-22)34-20-25-21-41(39-38-25)16-6-14-32-13-5-15-33-23-7-3-2-4-8-23/h19,21,23-24,26,32-33H,2-18,20,31H2,1H3,(H,43,44)(H2,34,35,36,37)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247627 (CHEMBL4089763) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CCNCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C31H53N11O3/c1-24-21-28(37-26-11-19-41(20-12-26)29(43)9-16-33-17-10-30(44)45)38-31(36-24)35-22-27-23-42(40-39-27)18-6-14-32-13-5-15-34-25-7-3-2-4-8-25/h21,23,25-26,32-34H,2-20,22H2,1H3,(H,44,45)(H2,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247626 (CHEMBL4068647) Show SMILES CCc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C31H53N11O3/c1-2-24-20-28(36-26-11-18-41(19-12-26)29(43)10-16-33-22-30(44)45)38-31(37-24)35-21-27-23-42(40-39-27)17-7-14-32-13-6-15-34-25-8-4-3-5-9-25/h20,23,25-26,32-34H,2-19,21-22H2,1H3,(H,44,45)(H2,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247620 (CHEMBL4102780) Show SMILES Cc1cc(NC2CCN(CCC#N)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C28H47N11/c1-23-20-27(34-25-10-18-38(19-11-25)16-5-12-29)35-28(33-23)32-21-26-22-39(37-36-26)17-7-14-30-13-6-15-31-24-8-3-2-4-9-24/h20,22,24-25,30-31H,2-11,13-19,21H2,1H3,(H2,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247619 (CHEMBL4082328) Show SMILES Cc1cc(NC2CCN(CCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C28H48N10O2/c1-22-19-26(33-24-9-16-37(17-10-24)18-11-27(39)40)34-28(32-22)31-20-25-21-38(36-35-25)15-6-13-29-12-5-14-30-23-7-3-2-4-8-23/h19,21,23-24,29-30H,2-18,20H2,1H3,(H,39,40)(H2,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279009 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-(di...) Show SMILES CN(C)C(C)(C)C(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H23Cl3N4O2/c1-13-19(21(31)27-22(32)23(2,3)29(4)5)28-30(18-11-10-16(25)12-17(18)26)20(13)14-6-8-15(24)9-7-14/h6-12H,1-5H3,(H,27,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82.9	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247594 (CHEMBL4104222) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CNCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C30H51N11O3/c1-23-19-27(36-25-10-17-40(18-11-25)28(42)21-32-15-9-29(43)44)37-30(35-23)34-20-26-22-41(39-38-26)16-6-13-31-12-5-14-33-24-7-3-2-4-8-24/h19,22,24-25,31-33H,2-18,20-21H2,1H3,(H,43,44)(H2,34,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247593 (CHEMBL4079981) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CCCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C31H53N11O3/c1-24-20-28(37-26-11-18-41(19-12-26)29(43)10-5-13-33-22-30(44)45)38-31(36-24)35-21-27-23-42(40-39-27)17-7-15-32-14-6-16-34-25-8-3-2-4-9-25/h20,23,25-26,32-34H,2-19,21-22H2,1H3,(H,44,45)(H2,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247632 (CHEMBL4081892) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CCNCP(O)(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C29H52N11O4P/c1-23-19-27(35-25-10-17-39(18-11-25)28(41)9-15-31-22-45(42,43)44)36-29(34-23)33-20-26-21-40(38-37-26)16-6-13-30-12-5-14-32-24-7-3-2-4-8-24/h19,21,24-25,30-32H,2-18,20,22H2,1H3,(H2,42,43,44)(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247618 (CHEMBL4069110) Show SMILES Cc1cc(NC2CCN(CCCCC(O)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C30H52N10O2/c1-24-21-28(35-26-12-19-39(20-13-26)17-6-5-11-29(41)42)36-30(34-24)33-22-27-23-40(38-37-27)18-8-15-31-14-7-16-32-25-9-3-2-4-10-25/h21,23,25-26,31-32H,2-20,22H2,1H3,(H,41,42)(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279049 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C1CC1 |t:24| Show InChI InChI=1S/C24H21Cl3N4O/c1-13-20(22-28-23(32)24(2,3)30(22)17-9-10-17)29-31(19-11-8-16(26)12-18(19)27)21(13)14-4-6-15(25)7-5-14/h4-8,11-12,17H,9-10H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95.2	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247633 (CHEMBL4079460) Show SMILES CN(C1CCN(CC1)C(=O)CCNCC(O)=O)c1cc(C)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C31H53N11O3/c1-24-20-28(40(2)27-11-18-41(19-12-27)29(43)10-16-33-22-30(44)45)37-31(36-24)35-21-26-23-42(39-38-26)17-7-14-32-13-6-15-34-25-8-4-3-5-9-25/h20,23,25,27,32-34H,3-19,21-22H2,1-2H3,(H,44,45)(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279011 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...) Show SMILES CCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:3| Show InChI InChI=1S/C23H21Cl3N4O/c1-5-29-21(27-22(31)23(29,3)4)19-13(2)20(14-6-8-15(24)9-7-14)30(28-19)18-11-10-16(25)12-17(18)26/h6-12H,5H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247622 (CHEMBL4059987) Show SMILES CCc1cc(NC2CCN(CC2)C(=O)CCNCCP(O)(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C31H56N11O4P/c1-2-25-22-29(36-27-11-19-41(20-12-27)30(43)10-16-33-17-21-47(44,45)46)38-31(37-25)35-23-28-24-42(40-39-28)18-7-14-32-13-6-15-34-26-8-4-3-5-9-26/h22,24,26-27,32-34H,2-21,23H2,1H3,(H2,44,45,46)(H2,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247624 (CHEMBL4071355) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C30H50N10O3/c1-23-20-27(35-25-12-18-39(19-13-25)28(41)10-5-11-29(42)43)36-30(34-23)33-21-26-22-40(38-37-26)17-7-15-31-14-6-16-32-24-8-3-2-4-9-24/h20,22,24-25,31-32H,2-19,21H2,1H3,(H,42,43)(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279084 (1-Benzyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-ph...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1Cc1ccccc1 |t:24| Show InChI InChI=1S/C28H23Cl3N4O/c1-17-24(26-32-27(36)28(2,3)34(26)16-18-7-5-4-6-8-18)33-35(23-14-13-21(30)15-22(23)31)25(17)19-9-11-20(29)12-10-19/h4-15H,16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279124 (2-[1-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25| Show InChI InChI=1S/C23H22Cl2N4O2/c1-13-19(21-26-22(30)23(2,3)28(21)4)27-29(18-11-8-15(24)12-17(18)25)20(13)14-6-9-16(31-5)10-7-14/h6-12H,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50035696 (1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...) Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279048 (1-Allyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1CC=C |t:24| Show InChI InChI=1S/C24H21Cl3N4O/c1-5-12-30-22(28-23(32)24(30,3)4)20-14(2)21(15-6-8-16(25)9-7-15)31(29-20)19-11-10-17(26)13-18(19)27/h5-11,13H,1,12H2,2-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50279085 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-...) Show SMILES CN1C(=NC(=O)C1(C)C)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C21H17Cl3N4O/c1-21(2)20(29)25-19(27(21)3)16-11-18(12-4-6-13(22)7-5-12)28(26-16)17-9-8-14(23)10-15(17)24/h4-11H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	325	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247625 (CHEMBL4097496) Show SMILES OC(=O)CNCCC(=O)N1CCC(CC1)Nc1ccnc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C29H49N11O3/c41-27(9-15-31-21-28(42)43)39-18-10-24(11-19-39)35-26-8-16-33-29(36-26)34-20-25-22-40(38-37-25)17-5-13-30-12-4-14-32-23-6-2-1-3-7-23/h8,16,22-24,30-32H,1-7,9-15,17-21H2,(H,42,43)(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	399	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247628 (CHEMBL4083415) Show SMILES COc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C25H44N10O/c1-36-24-17-23(30-21-9-14-27-15-10-21)31-25(32-24)29-18-22-19-35(34-33-22)16-6-12-26-11-5-13-28-20-7-3-2-4-8-20/h17,19-21,26-28H,2-16,18H2,1H3,(H2,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50279010 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...) Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2| Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50279205 (2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...) Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCCC2)C(=O)N1 |t:25| Show InChI InChI=1S/C25H23Cl3N4O/c1-2-18-21(23-29-24(33)25(30-23)12-4-3-5-13-25)31-32(20-11-10-17(27)14-19(20)28)22(18)15-6-8-16(26)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,29,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	497	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells				J Med Chem 52: 4496-510 (2009) Article DOI: 10.1021/jm900471u BindingDB Entry DOI: 10.7270/Q26W99Z4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247598 (CHEMBL4099856) Show SMILES Clc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C24H41ClN10/c25-22-16-23(30-20-8-13-27-14-9-20)32-24(31-22)29-17-21-18-35(34-33-21)15-5-11-26-10-4-12-28-19-6-2-1-3-7-19/h16,18-20,26-28H,1-15,17H2,(H2,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair

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