Compile Data Set for Download or QSAR

Found 21 hits from University of Campania   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250705 (CHEMBL4078698) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)16-10-20-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)35(24-29-18-19-30-14-8-9-15-31(30)22-29)58-41(65)34(23-28-12-6-5-7-13-28)57-40(64)33(56-43(36)67)17-11-21-53-46(50)51/h5-9,12-15,18-19,22,26,32-37H,10-11,16-17,20-21,23-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,64)(H,58,65)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250733 (CHEMBL4064373) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)16-10-20-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)34(23-28-12-6-5-7-13-28)58-41(65)35(24-29-18-19-30-14-8-9-15-31(30)22-29)57-40(64)33(56-43(36)67)17-11-21-53-46(50)51/h5-9,12-15,18-19,22,26,32-37H,10-11,16-17,20-21,23-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,64)(H,58,65)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250704 (CHEMBL4089168) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C44H63N15O9S2/c1-23(53-36(62)29(54-24(2)60)11-7-15-50-42(45)46)35(61)58-33-21-69-70-44(3,4)34(41(67)68)59-39(65)32(19-28-20-49-22-52-28)57-38(64)31(18-25-13-14-26-9-5-6-10-27(26)17-25)56-37(63)30(55-40(33)66)12-8-16-51-43(47)48/h5-6,9-10,13-14,17,20,22-23,29-34H,7-8,11-12,15-16,18-19,21H2,1-4H3,(H,49,52)(H,53,62)(H,54,60)(H,55,66)(H,56,63)(H,57,64)(H,58,61)(H,59,65)(H,67,68)(H4,45,46,50)(H4,47,48,51)/t23-,29-,30-,31-,32-,33+,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250704 (CHEMBL4089168) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C44H63N15O9S2/c1-23(53-36(62)29(54-24(2)60)11-7-15-50-42(45)46)35(61)58-33-21-69-70-44(3,4)34(41(67)68)59-39(65)32(19-28-20-49-22-52-28)57-38(64)31(18-25-13-14-26-9-5-6-10-27(26)17-25)56-37(63)30(55-40(33)66)12-8-16-51-43(47)48/h5-6,9-10,13-14,17,20,22-23,29-34H,7-8,11-12,15-16,18-19,21H2,1-4H3,(H,49,52)(H,53,62)(H,54,60)(H,55,66)(H,56,63)(H,57,64)(H,58,61)(H,59,65)(H,67,68)(H4,45,46,50)(H4,47,48,51)/t23-,29-,30-,31-,32-,33+,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250710 (CHEMBL4061034) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)19-11-21-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)34(23-28-13-6-5-7-14-28)57-41(65)35(24-30-17-10-16-29-15-8-9-18-31(29)30)58-40(64)33(56-43(36)67)20-12-22-53-46(50)51/h5-10,13-18,26,32-37H,11-12,19-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,65)(H,58,64)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50192468 (CHEMBL3923282) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50192652 (CHEMBL3901189) Show SMILES C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C39H57N13O8S2/c1-22(47-32(54)25(40)14-8-16-45-38(41)42)31(53)51-29-20-61-62-21-30(37(59)60)52-35(57)28(19-24-12-6-3-7-13-24)50-34(56)27(18-23-10-4-2-5-11-23)49-33(55)26(48-36(29)58)15-9-17-46-39(43)44/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H,47,54)(H,48,58)(H,49,55)(H,50,56)(H,51,53)(H,52,57)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25-,26-,27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250721 (CHEMBL4093767) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H63N13O10S2/c1-23(50-35(60)28(51-24(2)57)12-8-18-48-41(44)45)34(59)55-32-22-67-68-43(3,4)33(40(65)66)56-38(63)31(20-25-10-6-5-7-11-25)54-37(62)30(21-26-14-16-27(58)17-15-26)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33,58H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,57)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1	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
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250732 (CHEMBL4064578) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H62N14O11S2/c1-23(50-35(60)28(51-24(2)58)12-8-18-48-41(44)45)34(59)55-32-22-69-70-43(3,4)33(40(65)66)56-38(63)31(21-26-14-16-27(17-15-26)57(67)68)54-37(62)30(20-25-10-6-5-7-11-25)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,58)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250711 (CHEMBL4065967) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H62ClN13O9S2/c1-23(51-35(60)28(52-24(2)58)12-8-18-49-41(45)46)34(59)56-32-22-67-68-43(3,4)33(40(65)66)57-38(63)31(20-25-10-6-5-7-11-25)55-37(62)30(21-26-14-16-27(44)17-15-26)54-36(61)29(53-39(32)64)13-9-19-50-42(47)48/h5-7,10-11,14-17,23,28-33H,8-9,12-13,18-22H2,1-4H3,(H,51,60)(H,52,58)(H,53,64)(H,54,61)(H,55,62)(H,56,59)(H,57,63)(H,65,66)(H4,45,46,49)(H4,47,48,50)/t23-,28-,29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50192468 (CHEMBL3923282) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	338	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250709 (CHEMBL4076358) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C40H61N15O9S2/c1-21(49-32(58)25(50-22(2)56)12-8-14-46-38(41)42)31(57)54-29-19-65-66-40(3,4)30(37(63)64)55-35(61)28(17-24-18-45-20-48-24)53-34(60)27(16-23-10-6-5-7-11-23)52-33(59)26(51-36(29)62)13-9-15-47-39(43)44/h5-7,10-11,18,20-21,25-30H,8-9,12-17,19H2,1-4H3,(H,45,48)(H,49,58)(H,50,56)(H,51,62)(H,52,59)(H,53,60)(H,54,57)(H,55,61)(H,63,64)(H4,41,42,46)(H4,43,44,47)/t21-,25-,26-,27-,28-,29+,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250708 (CHEMBL4079246) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H63N13O10S2/c1-23(50-35(60)28(51-24(2)57)12-8-18-48-41(44)45)34(59)55-32-22-67-68-43(3,4)33(40(65)66)56-38(63)31(21-26-14-16-27(58)17-15-26)54-37(62)30(20-25-10-6-5-7-11-25)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33,58H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,57)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250723 (CHEMBL4060078) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC1(C)C)C(O)=O |r| Show InChI InChI=1S/C43H63N13O9S2/c1-24(50-35(59)28(51-25(2)57)17-11-19-48-41(44)45)34(58)56-33-39(63)52-29(18-12-20-49-42(46)47)36(60)53-30(21-26-13-7-5-8-14-26)37(61)54-31(22-27-15-9-6-10-16-27)38(62)55-32(40(64)65)23-66-67-43(33,3)4/h5-10,13-16,24,28-33H,11-12,17-23H2,1-4H3,(H,50,59)(H,51,57)(H,52,63)(H,53,60)(H,54,61)(H,55,62)(H,56,58)(H,64,65)(H4,44,45,48)(H4,46,47,49)/t24-,28-,29-,30-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250706 (CHEMBL4096721) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)19-11-21-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)35(24-30-17-10-16-29-15-8-9-18-31(29)30)58-41(65)34(23-28-13-6-5-7-14-28)57-40(64)33(56-43(36)67)20-12-22-53-46(50)51/h5-10,13-18,26,32-37H,11-12,19-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,64)(H,58,65)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250725 (CHEMBL4073066) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C40H61N15O9S2/c1-21(49-32(58)25(50-22(2)56)12-8-14-46-38(41)42)31(57)54-29-19-65-66-40(3,4)30(37(63)64)55-35(61)27(16-23-10-6-5-7-11-23)52-34(60)28(17-24-18-45-20-48-24)53-33(59)26(51-36(29)62)13-9-15-47-39(43)44/h5-7,10-11,18,20-21,25-30H,8-9,12-17,19H2,1-4H3,(H,45,48)(H,49,58)(H,50,56)(H,51,62)(H,52,60)(H,53,59)(H,54,57)(H,55,61)(H,63,64)(H4,41,42,46)(H4,43,44,47)/t21-,25-,26-,27-,28-,29+,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250724 (CHEMBL4074277) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H62N14O11S2/c1-23(50-35(60)28(51-24(2)58)12-8-18-48-41(44)45)34(59)55-32-22-69-70-43(3,4)33(40(65)66)56-38(63)31(20-25-10-6-5-7-11-25)54-37(62)30(21-26-14-16-27(17-15-26)57(67)68)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,58)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250722 (CHEMBL4087597) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(O)=O)C(C)(C)SSC1(C)C |r| Show InChI InChI=1S/C45H67N13O9S2/c1-25(52-36(61)29(53-26(2)59)19-13-21-50-42(46)47)35(60)57-33-40(65)54-30(20-14-22-51-43(48)49)37(62)55-31(23-27-15-9-7-10-16-27)38(63)56-32(24-28-17-11-8-12-18-28)39(64)58-34(41(66)67)45(5,6)69-68-44(33,3)4/h7-12,15-18,25,29-34H,13-14,19-24H2,1-6H3,(H,52,61)(H,53,59)(H,54,65)(H,55,62)(H,56,63)(H,57,60)(H,58,64)(H,66,67)(H4,46,47,50)(H4,48,49,51)/t25-,29-,30-,31-,32-,33-,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250731 (CHEMBL4091892) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H63N13O9S2/c1-24(50-35(59)28(51-25(2)57)17-11-19-48-41(44)45)34(58)55-32-23-66-67-43(3,4)33(40(64)65)56-38(62)31(22-27-15-9-6-10-16-27)54-37(61)30(21-26-13-7-5-8-14-26)53-36(60)29(52-39(32)63)18-12-20-49-42(46)47/h5-10,13-16,24,28-33H,11-12,17-23H2,1-4H3,(H,50,59)(H,51,57)(H,52,63)(H,53,60)(H,54,61)(H,55,58)(H,56,62)(H,64,65)(H4,44,45,48)(H4,46,47,49)/t24-,28-,29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250707 (CHEMBL4104439) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H62ClN13O9S2/c1-23(51-35(60)28(52-24(2)58)12-8-18-49-41(45)46)34(59)56-32-22-67-68-43(3,4)33(40(65)66)57-38(63)31(21-26-14-16-27(44)17-15-26)55-37(62)30(20-25-10-6-5-7-11-25)54-36(61)29(53-39(32)64)13-9-19-50-42(47)48/h5-7,10-11,14-17,23,28-33H,8-9,12-13,18-22H2,1-4H3,(H,51,60)(H,52,58)(H,53,64)(H,54,61)(H,55,62)(H,56,59)(H,57,63)(H,65,66)(H4,45,46,49)(H4,47,48,50)/t23-,28-,29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair