Compile Data Set for Download or QSAR

Found 139 hits of ic50 for UniProtKB: P25930   

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 (Bovine)	BDBM459043 (US10759796, Compound I-3) Show SMILES CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CC(=O)C[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C24H30N6O/c1-17-6-5-9-25-24(17)21-15-18(31)14-20(28(21)3)19-16-30-22(26-19)7-4-8-23(30)29-12-10-27(2)11-13-29/h4-9,16,20-21H,10-15H2,1-3H3/t20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459041 (US10759796, Compound I-1) Show SMILES CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C24H32N6/c1-18-7-6-12-25-24(18)21-9-4-8-20(28(21)3)19-17-30-22(26-19)10-5-11-23(30)29-15-13-27(2)14-16-29/h5-7,10-12,17,20-21H,4,8-9,13-16H2,1-3H3/t20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459044 (US10759796, Compound I-4) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCNCC1 |r| Show InChI InChI=1S/C23H30N6/c1-17-6-5-11-25-23(17)20-8-3-7-19(27(20)2)18-16-29-21(26-18)9-4-10-22(29)28-14-12-24-13-15-28/h4-6,9-11,16,19-20,24H,3,7-8,12-15H2,1-2H3/t19-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459045 (US10759796, Compound I-5) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)-c1ccncc1 |r| Show InChI InChI=1S/C24H25N5/c1-17-6-5-13-26-24(17)22-9-3-8-21(28(22)2)19-16-29-20(7-4-10-23(29)27-19)18-11-14-25-15-12-18/h4-7,10-16,21-22H,3,8-9H2,1-2H3/t21-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459048 (US10759796, Compound I-8) Show SMILES Cc1cccnc1[C@@H]1CCC[C@@H](N1CCc1ccccn1)c1cn2ccccc2n1 |r| Show InChI InChI=1S/C25H27N5/c1-19-8-7-15-27-25(19)23-11-6-10-22(21-18-29-16-5-3-12-24(29)28-21)30(23)17-13-20-9-2-4-14-26-20/h2-5,7-9,12,14-16,18,22-23H,6,10-11,13,17H2,1H3/t22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459049 (US10759796, Compound I-9) Show SMILES Cc1cccnc1[C@@H]1CCC[C@@H](N1CCc1cnccn1)c1cn2ccccc2n1 |r| Show InChI InChI=1S/C24H26N6/c1-18-6-5-11-27-24(18)22-8-4-7-21(20-17-29-14-3-2-9-23(29)28-20)30(22)15-10-19-16-25-12-13-26-19/h2-3,5-6,9,11-14,16-17,21-22H,4,7-8,10,15H2,1H3/t21-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459050 (US10759796, Compound I-10) Show SMILES Cc1cccnc1[C@@H]1CCC[C@@H](N1CCn1cccn1)c1cn2ccccc2n1 |r| Show InChI InChI=1S/C23H26N6/c1-18-7-5-11-24-23(18)21-9-4-8-20(29(21)16-15-28-14-6-12-25-28)19-17-27-13-3-2-10-22(27)26-19/h2-3,5-7,10-14,17,20-21H,4,8-9,15-16H2,1H3/t20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459051 (US10759796, Compound I-11) Show SMILES CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(CO)n12 |r| Show InChI InChI=1S/C25H34N6O/c1-18-7-6-12-26-24(18)19-8-4-9-20(29(19)3)25-21(17-32)31-22(27-25)10-5-11-23(31)30-15-13-28(2)14-16-30/h5-7,10-12,19-20,32H,4,8-9,13-17H2,1-3H3/t19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459052 (US10759796, Compound I-12) Show SMILES COCc1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C26H36N6O/c1-19-8-7-13-27-25(19)20-9-5-10-21(30(20)3)26-22(18-33-4)32-23(28-26)11-6-12-24(32)31-16-14-29(2)15-17-31/h6-8,11-13,20-21H,5,9-10,14-18H2,1-4H3/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459053 (US10759796, Compound I-13) Show SMILES CCN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C25H34N6/c1-4-29-14-16-30(17-15-29)24-12-6-11-23-27-20(18-31(23)24)21-9-5-10-22(28(21)3)25-19(2)8-7-13-26-25/h6-8,11-13,18,21-22H,4-5,9-10,14-17H2,1-3H3/t21-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459055 (US10759796, Compound I-15) Show SMILES CC(C)N1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C26H36N6/c1-19(2)30-14-16-31(17-15-30)25-12-6-11-24-28-21(18-32(24)25)22-9-5-10-23(29(22)4)26-20(3)8-7-13-27-26/h6-8,11-13,18-19,22-23H,5,9-10,14-17H2,1-4H3/t22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459056 (US10759796, Compound I-16) Show SMILES Cc1cccnc1[C@@H]1CCC[C@@H](N1Cc1ccccc1-n1cccn1)c1cn2ccccc2n1 |r| Show InChI InChI=1S/C28H28N6/c1-21-9-7-15-29-28(21)26-13-6-12-25(23-20-32-17-5-4-14-27(32)31-23)33(26)19-22-10-2-3-11-24(22)34-18-8-16-30-34/h2-5,7-11,14-18,20,25-26H,6,12-13,19H2,1H3/t25-,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459057 (US10759796, Compound I-17) Show SMILES CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Br)n12 |r| Show InChI InChI=1S/C24H31BrN6/c1-17-7-6-12-26-22(17)18-8-4-9-19(29(18)3)23-24(25)31-20(27-23)10-5-11-21(31)30-15-13-28(2)14-16-30/h5-7,10-12,18-19H,4,8-9,13-16H2,1-3H3/t18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459058 (US10759796, Compound I-18) Show SMILES CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Cl)n12 |r| Show InChI InChI=1S/C24H31ClN6/c1-17-7-6-12-26-22(17)18-8-4-9-19(29(18)3)23-24(25)31-20(27-23)10-5-11-21(31)30-15-13-28(2)14-16-30/h5-7,10-12,18-19H,4,8-9,13-16H2,1-3H3/t18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459059 (US10759796, Compound I-19) Show SMILES CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Br)n12 |r| Show InChI InChI=1S/C25H33BrN6/c1-4-30-14-16-31(17-15-30)22-12-6-11-21-28-24(25(26)32(21)22)20-10-5-9-19(29(20)3)23-18(2)8-7-13-27-23/h6-8,11-13,19-20H,4-5,9-10,14-17H2,1-3H3/t19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459060 (US10759796, Compound I-20) Show SMILES CC(C)N1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Br)n12 |r| Show InChI InChI=1S/C26H35BrN6/c1-18(2)31-14-16-32(17-15-31)23-12-6-11-22-29-25(26(27)33(22)23)21-10-5-9-20(30(21)4)24-19(3)8-7-13-28-24/h6-8,11-13,18,20-21H,5,9-10,14-17H2,1-4H3/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459061 (US10759796, Compound I-21) Show SMILES CCOCc1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C27H38N6O/c1-5-34-19-23-27(22-11-6-10-21(31(22)4)26-20(2)9-8-14-28-26)29-24-12-7-13-25(33(23)24)32-17-15-30(3)16-18-32/h7-9,12-14,21-22H,5-6,10-11,15-19H2,1-4H3/t21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459062 (US10759796, Compound I-25) Show SMILES CN1CCN(CCCc2c(nc3ccccn23)[C@H]2CCC[C@H](N2C)c2ncccc2C)CC1 |r| Show InChI InChI=1S/C27H38N6/c1-21-9-7-14-28-26(21)22-10-6-11-23(31(22)3)27-24(33-16-5-4-13-25(33)29-27)12-8-15-32-19-17-30(2)18-20-32/h4-5,7,9,13-14,16,22-23H,6,8,10-12,15,17-20H2,1-3H3/t22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459063 (US10759796, Compound I-26) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2ccccn2c1CCCN |r| Show InChI InChI=1S/C22H29N5/c1-16-8-7-14-24-21(16)17-9-5-10-18(26(17)2)22-19(11-6-13-23)27-15-4-3-12-20(27)25-22/h3-4,7-8,12,14-15,17-18H,5-6,9-11,13,23H2,1-2H3/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459064 (US10759796, Compound I-27) Show SMILES CNCCCc1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C23H31N5/c1-17-9-7-15-25-22(17)18-10-6-11-19(27(18)3)23-20(12-8-14-24-2)28-16-5-4-13-21(28)26-23/h4-5,7,9,13,15-16,18-19,24H,6,8,10-12,14H2,1-3H3/t18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459065 (US10759796, Compound I-28) Show SMILES CN(C)CCCc1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C24H33N5/c1-18-10-8-15-25-23(18)19-11-7-12-20(28(19)4)24-21(13-9-16-27(2)3)29-17-6-5-14-22(29)26-24/h5-6,8,10,14-15,17,19-20H,7,9,11-13,16H2,1-4H3/t19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459066 (US10759796, Compound I-29) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2ccccn2c1CCCN1CCOCC1 |r| Show InChI InChI=1S/C26H35N5O/c1-20-8-6-13-27-25(20)21-9-5-10-22(29(21)2)26-23(31-15-4-3-12-24(31)28-26)11-7-14-30-16-18-32-19-17-30/h3-4,6,8,12-13,15,21-22H,5,7,9-11,14,16-19H2,1-2H3/t21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459067 (US10759796, Compound I-34) Show SMILES CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(F)n12 |r| Show InChI InChI=1S/C24H31FN6/c1-17-7-6-12-26-22(17)18-8-4-9-19(29(18)3)23-24(25)31-20(27-23)10-5-11-21(31)30-15-13-28(2)14-16-30/h5-7,10-12,18-19H,4,8-9,13-16H2,1-3H3/t18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459068 (US10759796, Compound I-37) Show SMILES CCN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C27H38N6/c1-5-32-23(10-6-11-24(32)27-21(4)9-8-14-28-27)22-19-33-25(29-22)12-7-13-26(33)31-17-15-30(16-18-31)20(2)3/h7-9,12-14,19-20,23-24H,5-6,10-11,15-18H2,1-4H3/t23-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459069 (US10759796, Compound I-38) Show SMILES CN1CCN(Cc2c(nc3ccccn23)[C@H]2CCC[C@H](N2C)c2ncccc2C)CC1 |r| Show InChI InChI=1S/C25H34N6/c1-19-8-7-12-26-24(19)20-9-6-10-21(29(20)3)25-22(18-30-16-14-28(2)15-17-30)31-13-5-4-11-23(31)27-25/h4-5,7-8,11-13,20-21H,6,9-10,14-18H2,1-3H3/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459070 (US10759796, Compound I-39) Show SMILES CC(C)N1CCN(Cc2c(nc3ccccn23)[C@H]2CCC[C@H](N2C)c2ncccc2C)CC1 |r| Show InChI InChI=1S/C27H38N6/c1-20(2)32-17-15-31(16-18-32)19-24-27(29-25-12-5-6-14-33(24)25)23-11-7-10-22(30(23)4)26-21(3)9-8-13-28-26/h5-6,8-9,12-14,20,22-23H,7,10-11,15-19H2,1-4H3/t22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459071 (US10759796, Compound I-40) Show SMILES CCN1CCN(Cc2c(nc3ccccn23)[C@H]2CCC[C@H](N2C)c2ncccc2C)CC1 |r| Show InChI InChI=1S/C26H36N6/c1-4-30-15-17-31(18-16-30)19-23-26(28-24-12-5-6-14-32(23)24)22-11-7-10-21(29(22)3)25-20(2)9-8-13-27-25/h5-6,8-9,12-14,21-22H,4,7,10-11,15-19H2,1-3H3/t21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459073 (US10759796, Compound I-46) Show SMILES CCN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(C)CC3)n2c1Br |r| Show InChI InChI=1S/C25H33BrN6/c1-4-31-19(23-18(2)8-7-13-27-23)9-5-10-20(31)24-25(26)32-21(28-24)11-6-12-22(32)30-16-14-29(3)15-17-30/h6-8,11-13,19-20H,4-5,9-10,14-17H2,1-3H3/t19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459074 (US10759796, Compound I-47) Show SMILES CC(C)N1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(C)CC3)n2c1Br |r| Show InChI InChI=1S/C26H35BrN6/c1-18(2)32-20(24-19(3)8-7-13-28-24)9-5-10-21(32)25-26(27)33-22(29-25)11-6-12-23(33)31-16-14-30(4)15-17-31/h6-8,11-13,18,20-21H,5,9-10,14-17H2,1-4H3/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459075 (US10759796, Compound I-48) Show SMILES CC(C)OCc1c(nc2cccc(N3CCN(C)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C28H40N6O/c1-20(2)35-19-24-28(23-11-6-10-22(32(23)5)27-21(3)9-8-14-29-27)30-25-12-7-13-26(34(24)25)33-17-15-31(4)16-18-33/h7-9,12-14,20,22-23H,6,10-11,15-19H2,1-5H3/t22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459076 (US10759796, Compound I-49) Show SMILES CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1CCCO)c1ncccc1C |r| Show InChI InChI=1S/C26H36N6O/c1-20-7-5-12-27-26(20)23-9-3-8-22(31(23)13-6-18-33)21-19-32-24(28-21)10-4-11-25(32)30-16-14-29(2)15-17-30/h4-5,7,10-12,19,22-23,33H,3,6,8-9,13-18H2,1-2H3/t22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459077 (US10759796, Compound I-50) Show SMILES CC(C)N1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(CO)n12 |r| Show InChI InChI=1S/C27H38N6O/c1-19(2)31-14-16-32(17-15-31)25-12-6-11-24-29-27(23(18-34)33(24)25)22-10-5-9-21(30(22)4)26-20(3)8-7-13-28-26/h6-8,11-13,19,21-22,34H,5,9-10,14-18H2,1-4H3/t21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459078 (US10759796, Compound I-51) Show SMILES CC(C)c1cccnc1[C@@H]1CCC[C@@H](N1C)c1cn2c(cccc2n1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C26H36N6/c1-19(2)20-8-7-13-27-26(20)23-10-5-9-22(30(23)4)21-18-32-24(28-21)11-6-12-25(32)31-16-14-29(3)15-17-31/h6-8,11-13,18-19,22-23H,5,9-10,14-17H2,1-4H3/t22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459080 (US10759796, Compound I-53) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C1CCOCC1 |r| Show InChI InChI=1S/C28H38N6O/c1-21-6-5-13-29-28(21)25-8-3-7-24(31(25)2)23-20-34-26(30-23)9-4-10-27(34)33-16-14-32(15-17-33)22-11-18-35-19-12-22/h4-6,9-10,13,20,22,24-25H,3,7-8,11-12,14-19H2,1-2H3/t24-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459081 (US10759796, Compound I-54) Show SMILES CN1CCC(CC1)[C@H](O)c1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C26H35N5O/c1-18-8-7-14-27-23(18)20-9-6-10-21(30(20)3)24-25(31-15-5-4-11-22(31)28-24)26(32)19-12-16-29(2)17-13-19/h4-5,7-8,11,14-15,19-21,26,32H,6,9-10,12-13,16-17H2,1-3H3/t20-,21+,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459082 (US10759796, Compound I-55) Show SMILES CN1CCC(CC1)[C@@H](O)c1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C26H35N5O/c1-18-8-7-14-27-23(18)20-9-6-10-21(30(20)3)24-25(31-15-5-4-11-22(31)28-24)26(32)19-12-16-29(2)17-13-19/h4-5,7-8,11,14-15,19-21,26,32H,6,9-10,12-13,16-17H2,1-3H3/t20-,21+,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459083 (US10759796, Compound I-56) Show SMILES CCOCc1c(nc2cccc(N3CCN(CC)CC3)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C28H40N6O/c1-5-32-16-18-33(19-17-32)26-14-8-13-25-30-28(24(34(25)26)20-35-6-2)23-12-7-11-22(31(23)4)27-21(3)10-9-15-29-27/h8-10,13-15,22-23H,5-7,11-12,16-20H2,1-4H3/t22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459084 (US10759796, Compound I-57) Show SMILES CCOCc1c(nc2cccc(N3CCN(CC3)C(C)C)n12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C29H42N6O/c1-6-36-20-25-29(24-12-7-11-23(32(24)5)28-22(4)10-9-15-30-28)31-26-13-8-14-27(35(25)26)34-18-16-33(17-19-34)21(2)3/h8-10,13-15,21,23-24H,6-7,11-12,16-20H2,1-5H3/t23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459087 (US10759796, Compound I-60) Show SMILES CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(COC(C)C)n12 |r| Show InChI InChI=1S/C29H42N6O/c1-6-33-16-18-34(19-17-33)27-14-8-13-26-31-29(25(35(26)27)20-36-21(2)3)24-12-7-11-23(32(24)5)28-22(4)10-9-15-30-28/h8-10,13-15,21,23-24H,6-7,11-12,16-20H2,1-5H3/t23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459088 (US10759796, Compound I-61) Show SMILES CCN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(CO)n12 |r| Show InChI InChI=1S/C26H36N6O/c1-4-30-14-16-31(17-15-30)24-12-6-11-23-28-26(22(18-33)32(23)24)21-10-5-9-20(29(21)3)25-19(2)8-7-13-27-25/h6-8,11-13,20-21,33H,4-5,9-10,14-18H2,1-3H3/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459090 (US10759796, Compound I-63) Show SMILES CN1CCCC(C1)OCc1c(nc2ccccn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C26H35N5O/c1-19-9-7-14-27-25(19)21-11-6-12-22(30(21)3)26-23(31-16-5-4-13-24(31)28-26)18-32-20-10-8-15-29(2)17-20/h4-5,7,9,13-14,16,20-22H,6,8,10-12,15,17-18H2,1-3H3/t20?,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459091 (US10759796, Compound I-66) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C1CC1 |r| Show InChI InChI=1S/C26H34N6/c1-19-6-5-13-27-26(19)23-8-3-7-22(29(23)2)21-18-32-24(28-21)9-4-10-25(32)31-16-14-30(15-17-31)20-11-12-20/h4-6,9-10,13,18,20,22-23H,3,7-8,11-12,14-17H2,1-2H3/t22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459092 (US10759796, Compound I-67) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1nc2cccc(N3CCN(CC3)C3CC3)n2c1Br |r| Show InChI InChI=1S/C26H33BrN6/c1-18-6-5-13-28-24(18)20-7-3-8-21(30(20)2)25-26(27)33-22(29-25)9-4-10-23(33)32-16-14-31(15-17-32)19-11-12-19/h4-6,9-10,13,19-21H,3,7-8,11-12,14-17H2,1-2H3/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459093 (US10759796, Compound I-68) Show SMILES CN1C2CCC1CN(C2)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C26H34N6/c1-18-7-6-14-27-26(18)23-9-4-8-22(30(23)3)21-17-32-24(28-21)10-5-11-25(32)31-15-19-12-13-20(16-31)29(19)2/h5-7,10-11,14,17,19-20,22-23H,4,8-9,12-13,15-16H2,1-3H3/t19?,20?,22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459094 (US10759796, Compound I-69) Show SMILES CN1CC2CCC(C1)N2c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C26H34N6/c1-18-7-6-14-27-26(18)23-9-4-8-22(30(23)3)21-17-31-24(28-21)10-5-11-25(31)32-19-12-13-20(32)16-29(2)15-19/h5-7,10-11,14,17,19-20,22-23H,4,8-9,12-13,15-16H2,1-3H3/t19?,20?,22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459098 (US10759796, Compound I-76) Show SMILES CN1CCN(CC1)c1ccc(N)c2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C24H33N7/c1-17-6-5-11-26-23(17)21-8-4-7-20(29(21)3)19-16-31-22(10-9-18(25)24(31)27-19)30-14-12-28(2)13-15-30/h5-6,9-11,16,20-21H,4,7-8,12-15,25H2,1-3H3/t20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459099 (US10759796, Compound I-77) Show SMILES CN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN2CCCC2C1 |r| Show InChI InChI=1S/C26H34N6/c1-19-7-5-13-27-26(19)23-10-3-9-22(29(23)2)21-18-32-24(28-21)11-4-12-25(32)31-16-15-30-14-6-8-20(30)17-31/h4-5,7,11-13,18,20,22-23H,3,6,8-10,14-17H2,1-2H3/t20?,22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459100 (US10759796, Compound I-78) Show SMILES CN(C)C1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r| Show InChI InChI=1S/C26H36N6/c1-19-8-7-15-27-26(19)23-10-5-9-22(30(23)4)21-18-32-24(28-21)11-6-12-25(32)31-16-13-20(14-17-31)29(2)3/h6-8,11-12,15,18,20,22-23H,5,9-10,13-14,16-17H2,1-4H3/t22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459101 (US10759796, Compound I-79) Show SMILES CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C1CC1 |r| Show InChI InChI=1S/C26H34N6/c1-29-14-16-31(17-15-29)25-10-4-9-24-28-21(18-32(24)25)22-7-3-8-23(30(22)2)26-20(19-11-12-19)6-5-13-27-26/h4-6,9-10,13,18-19,22-23H,3,7-8,11-12,14-17H2,1-2H3/t22-,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Bovine)	BDBM459102 (US10759796, Compound I-80) Show SMILES CN1CCN(CC1)c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C(F)(F)F |r| Show InChI InChI=1S/C24H29F3N6/c1-30-12-14-32(15-13-30)22-10-4-9-21-29-18(16-33(21)22)19-7-3-8-20(31(19)2)23-17(24(25,26)27)6-5-11-28-23/h4-6,9-11,16,19-20H,3,7-8,12-15H2,1-2H3/t19-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
X4 PHARMACEUTICALS, INC. US Patent					Assay Description Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...				US Patent US10759796 (2020) BindingDB Entry DOI: 10.7270/Q2FT8Q30
					More data for this Ligand-Target Pair

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