target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id CXCR4,71,P61073,Human,ALX40-4C,607,,25077385,NC(=N)NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N,"InChI=1S/C56H113N37O10/c1-29(94)85-31(12-3-21-77-49(60)61)40(96)87-33(14-5-23-79-51(64)65)42(98)89-35(16-7-25-81-53(68)69)44(100)91-37(18-9-27-83-55(72)73)46(102)93-38(19-10-28-84-56(74)75)47(103)92-36(17-8-26-82-54(70)71)45(101)90-34(15-6-24-80-52(66)67)43(99)88-32(13-4-22-78-50(62)63)41(97)86-30(39(57)95)11-2-20-76-48(58)59/h30-38H,2-28H2,1H3,(H2,57,95)(H,85,94)(H,86,97)(H,87,96)(H,88,99)(H,89,98)(H,90,101)(H,91,100)(H,92,103)(H,93,102)(H4,58,59,76)(H4,60,61,77)(H4,62,63,78)(H4,64,65,79)(H4,66,67,80)(H4,68,69,81)(H4,70,71,82)(H4,72,73,83)(H4,74,75,84)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m1/s1",LGLVVVCSQBZONM-HCCLCSBVSA-N,Agonist,Partial agonist,,,,,pIC50,,6.1,,IC50,,794.0,,=,,,,11923301, CXCR4,71,P61073,Human,vMIP-II,768,,486830,NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)[C@H](O)C,"InChI=1S/C55H93N19O14S2/c1-28(2)23-37-50(84)74-43(30(5)75)52(86)69-35(15-9-10-20-56)47(81)67-33(16-11-21-63-54(59)60)45(79)65-25-41(77)66-34(17-12-22-64-55(61)62)46(80)68-36(18-19-40(58)76)48(82)73-42(29(3)4)51(85)72-39(53(87)88)27-90-89-26-32(57)44(78)70-38(49(83)71-37)24-31-13-7-6-8-14-31/h6-8,13-14,28-30,32-39,42-43,75H,9-12,15-27,56-57H2,1-5H3,(H2,58,76)(H,65,79)(H,66,77)(H,67,81)(H,68,80)(H,69,86)(H,70,78)(H,71,83)(H,72,85)(H,73,82)(H,74,84)(H,87,88)(H4,59,60,63)(H4,61,62,64)/t30-,32+,33+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1",JOEHPBQVSCDCHE-BKGQOYFSSA-N,Antagonist,Antagonist,,,,,pIC50,,8.2,,,,,,,,,,9287217, CXCR4,71,P61073,Human,plerixafor,844,,65015,C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1,"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",YIQPUIGJQJDJOS-UHFFFAOYSA-N,Antagonist,Antagonist,,,yes,,pIC50,,6.19,,IC50,,651.0,,=,Antagonism of SDF-1/CXCL12 ligand binding to CXCR4 expressed by CCRF–CEM T-cells.,,,16815309, CXCR4,71,P61073,Human,plerixafor,844,,65015,C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1,"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",YIQPUIGJQJDJOS-UHFFFAOYSA-N,Antagonist,Antagonist,,,yes,,pKi,,7.0,,Ki,,100.0,,=,,,,11923301, CXCR4,71,P61073,Human,plerixafor,844,,65015,C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1,"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",YIQPUIGJQJDJOS-UHFFFAOYSA-N,Antagonist,Antagonist,,,yes,,pKi,,6.7,,Ki,,199.0,,=,,,,30476826, CXCR4,71,P61073,Human,CXCL12β,845,Human,,,,,Agonist,Full agonist,,yes,,,pKd,,7.86,,Kd,,13.7,,=,,,,9551924, CXCR4,71,P61073,Human,CXCL12-(1-17),846,,155817384,CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O,"InChI=1S/C92H138N26O24S2/c1-49(2)37-60(106-82(133)67(45-121)113-87(138)73(50(3)4)116-86(137)71-25-15-35-117(71)88(139)56(94)21-11-12-32-93)77(128)112-65(43-119)81(132)109-63(40-53-26-28-55(122)29-27-53)78(129)103-58(23-14-34-101-92(97)98)75(126)115-69(47-144)89(140)118-36-16-24-70(118)85(136)114-68(46-143)84(135)104-57(22-13-33-100-91(95)96)74(125)107-62(39-52-19-9-6-10-20-52)80(131)108-61(38-51-17-7-5-8-18-51)79(130)105-59(30-31-72(123)124)76(127)111-66(44-120)83(134)110-64(90(141)142)41-54-42-99-48-102-54/h5-10,17-20,26-29,42,48-50,56-71,73,119-122,143-144H,11-16,21-25,30-41,43-47,93-94H2,1-4H3,(H,99,102)(H,103,129)(H,104,135)(H,105,130)(H,106,133)(H,107,125)(H,108,131)(H,109,132)(H,110,134)(H,111,127)(H,112,128)(H,113,138)(H,114,136)(H,115,126)(H,116,137)(H,123,124)(H,141,142)(H4,95,96,100)(H4,97,98,101)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,73-/m0/s1",UQMATGKUTLWKOZ-DMVRXRCYSA-N,Agonist,Full agonist,,,,,pKi,,6.1,,,,,,,,,,9712844, CXCR4,71,P61073,Human,CXCL12-(1-9),847,,5273315,CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O,"InChI=1S/C46H77N13O13S/c1-24(2)19-30(53-41(67)33(22-61)56-43(69)36(25(3)4)58-42(68)35-11-8-18-59(35)44(70)28(48)9-5-6-16-47)38(64)55-32(21-60)40(66)54-31(20-26-12-14-27(62)15-13-26)39(65)52-29(10-7-17-51-46(49)50)37(63)57-34(23-73)45(71)72/h12-15,24-25,28-36,60-62,73H,5-11,16-23,47-48H2,1-4H3,(H,52,65)(H,53,67)(H,54,66)(H,55,64)(H,56,69)(H,57,63)(H,58,68)(H,71,72)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1",LDJISKZMVNIUHX-VXJRNSOOSA-N,Agonist,Full agonist,,,,,pKi,,4.9,,,,,,,,,,9712844, CXCR4,71,P61073,Human,CXCL12-(1-9) dimer,848,,,,,,Agonist,Full agonist,,,,,pKi,,6.1,,,,,,,,,,9712844, CXCR4,71,P61073,Human,[125I]CXCL12α (human),849,,,,,,Agonist,Full agonist,,,,,pKd,8.4,,8.1,Kd,7.94,,3.98,=,,,,9551924|11104827, CXCR4,71,P61073,Human,[125I]CXCL12α (human),849,,,,,,Agonist,Full agonist,,,,,pKd,,7.45,,Kd,,35.8,,=,,,,18768385, CXCR4,71,P61073,Human,[125I]CXCL12β (human),850,,,,,,Agonist,Full agonist,,,,,pKd,,7.9,,,,,,,,,,9551924, CXCR4,71,P61073,Human,"SDF-1, 1-9[P2G] dimer",851,,,,,,Antagonist,Antagonist,,,,,pKi,,5.6,,,,,,,,,,9712844, CXCR4,71,P61073,Human,T134,852,,16197445,NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N,"InChI=1S/C94H152N38O19S2/c95-35-5-3-18-59-76(138)125-65(19-4-6-36-96)86(148)132-44-14-26-72(132)85(147)129-68(46-52-29-33-55(134)34-30-52)81(143)123-62(22-10-40-114-91(104)105)75(137)121-64(24-12-43-117-94(110)151)79(141)130-71(84(146)126-66(87(149)150)25-13-42-116-93(108)109)50-153-152-49-70(83(145)124-63(23-11-41-115-92(106)107)78(140)127-67(45-51-27-31-54(133)32-28-51)80(142)122-61(74(136)120-59)21-9-39-113-90(102)103)131-82(144)69(47-53-48-118-58-17-2-1-15-56(53)58)128-77(139)60(20-8-38-112-89(100)101)119-73(135)57(97)16-7-37-111-88(98)99/h1-2,15,17,27-34,48,57,59-72,118,133-134H,3-14,16,18-26,35-47,49-50,95-97H2,(H,119,135)(H,120,136)(H,121,137)(H,122,142)(H,123,143)(H,124,145)(H,125,138)(H,126,146)(H,127,140)(H,128,139)(H,129,147)(H,130,141)(H,131,144)(H,149,150)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H4,108,109,116)(H3,110,117,151)/t57-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-/m0/s1",ZFIUCXJWTNZDRW-UYROLUPNSA-N,Antagonist,Antagonist,,,,,pIC50,,8.4,,IC50,,3.98,,=,,,,9918823, CXCR4,71,P61073,Human,T140,853,,16130395,NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2,"InChI=1S/C90H141N33O18S2/c91-35-5-3-17-58-74(129)116-63(18-4-6-36-92)83(138)123-43-13-24-70(123)82(137)120-66(46-51-28-33-56(125)34-29-51)78(133)115-61(21-10-40-108-88(100)101)73(128)113-62(22-11-42-110-90(104)141)76(131)121-68(80(135)117-64(84(139)140)23-12-41-109-89(102)103)48-142-143-49-69(81(136)119-65(45-50-26-31-55(124)32-27-50)77(132)114-60(72(127)112-58)20-9-39-107-87(98)99)122-79(134)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-75(130)59(19-8-38-106-86(96)97)111-71(126)57(93)16-7-37-105-85(94)95/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,130)(H,119,136)(H,120,137)(H,121,131)(H,122,134)(H,139,140)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1",IMOHHNXUCDZLKM-ADZSTZGASA-N,Antagonist,Inverse agonist,,,,,pIC50,8.6,,7.8,,,,,,,,,11923301|9918823, CXCR4,71,P61073,Human,T22,854,,16197316,NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c3c1cccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N)CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)Cc1ccc(cc1)O)CCCCN,"InChI=1S/C109H164N38O22S4/c110-40-6-3-17-72-90(155)131-54-87(152)132-78(48-59-24-32-64(148)33-25-59)96(161)146-85-57-172-171-56-84(102(167)140-79(97(162)135-72)49-60-26-34-65(149)35-27-60)145-95(160)74(19-5-8-42-112)137-92(157)77(23-13-47-129-109(123)124)139-99(164)81(51-62-30-38-67(151)39-31-62)142-104(169)86(147-100(165)82(52-63-53-130-70-16-2-1-14-68(63)70)143-93(158)75(21-11-45-127-107(119)120)134-89(154)69(113)15-9-43-125-105(115)116)58-173-170-55-83(101(166)133-71(88(114)153)20-10-44-126-106(117)118)144-94(159)73(18-4-7-41-111)136-91(156)76(22-12-46-128-108(121)122)138-98(163)80(141-103(85)168)50-61-28-36-66(150)37-29-61/h1-2,14,16,24-39,53,69,71-86,130,148-151H,3-13,15,17-23,40-52,54-58,110-113H2,(H2,114,153)(H,131,155)(H,132,152)(H,133,166)(H,134,154)(H,135,162)(H,136,156)(H,137,157)(H,138,163)(H,139,164)(H,140,167)(H,141,168)(H,142,169)(H,143,158)(H,144,159)(H,145,160)(H,146,161)(H,147,165)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1",MJULKHZUJYASFR-FQPMSUGVSA-N,Antagonist,Antagonist,,,,,pIC50,,7.3,,,,,,,,,,9918823, CXCR4,71,P61073,Human,isothiourea-1t,2899,,25147749,CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1,"InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)",OOSUDWRRWZVFEB-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pEC50,,9.0,,,,,,=,,,,19053768, CXCR4,71,P61073,Human,isothiourea-1t,2899,,25147749,CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1,"InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)",OOSUDWRRWZVFEB-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,8.1,,8.0,IC50,10.0,,7.9,=,,,,19053768|30476826, CXCR4,71,O08565,Rat,isothiourea-1t,2899,,25147749,CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1,"InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)",OOSUDWRRWZVFEB-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,7.96,,,,,,=,,,,19053768, CXCR4,71,P61073,Human,isothiourea-1a,2900,,11176403,C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12,"InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)",ZEZPDHKACVMMCD-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pEC50,,7.96,,,,,,=,,,,19053768, CXCR4,71,P61073,Human,isothiourea-1a,2900,,11176403,C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12,"InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)",ZEZPDHKACVMMCD-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,7.32,,,,,,=,,,,19053768, CXCR4,71,O08565,Rat,isothiourea-1a,2900,,11176403,C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12,"InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)",ZEZPDHKACVMMCD-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,7.26,,,,,,=,,,,19053768, CXCR4,71,P61073,Human,CXCL12α,4358,Human,,,,,Agonist,Agonist,,yes,,,pIC50,,9.3,,IC50,,0.5,,=,Measuring CXCL12-induced displacement of CXCR4-bound 125I-CXCL12 from membranes prepared from HEK293T cells expressing human CXCR4.,,,30476826, CXCR4,71,P61073,Human,CXCL12α,4358,Human,,,,,Agonist,Full agonist,,yes,,,pKd,8.2,,7.7,,,,,=,,,,9551924|9712844, CXCR4,71,P61073,Human,CXCL12γ,8530,Human,,,,,Agonist,Agonist,,yes,,,,,,,,,,,=,,,,16626895|18648536, CXCR4,71,P61073,Human,CXCL12δ,8531,Human,,,,,Agonist,Agonist,,yes,,,,,,,,,,,=,,,,16626895, CXCR4,71,P61073,Human,CXCL12ε,8532,Human,,,,,Agonist,Agonist,,yes,,,,,,,,,,,=,,,,16626895, CXCR4,71,P61073,Human,CXCL12φ,8533,Human,,,,,Agonist,Agonist,,yes,,,,,,,,,,,=,,,,16626895, CXCR4,71,P61073,Human,CXCL12H25R (monomer),8534,,,,,,Agonist,Agonist,,,,,pKd,,7.82,,Kd,,15.0,,=,,,,21990345, CXCR4,71,P61073,Human,CXCL122 (dimer),8535,,,,,,Agonist,Partial agonist,,,,,pKd,,6.0,,Kd,,1000.0,,>,,,,21990345, CXCR4,71,P61073,Human,SDF1 P2G,8536,,,,,,Antagonist,Antagonist,,,,,pKd,,8.05,,Kd,,9.0,,=,,,,9384579, CXCR4,71,P61073,Human,mavorixafor,8580,,11256587,NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2,"InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1",WVLHHLRVNDMIAR-IBGZPJMESA-N,Antagonist,Antagonist,,,yes,,pIC50,,7.89,,IC50,,13.0,,=,Displacement of [125I]SDF-1α binding from CXCR4 in human CEM-CCRF cells by liquid scintillation counting.,,,20297846, CXCR4,71,P61073,Human,mavorixafor,8580,,11256587,NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2,"InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1",WVLHHLRVNDMIAR-IBGZPJMESA-N,Antagonist,Antagonist,,,,,pKi,,7.96,,Ki,,11.0,,=,"Assay using 125I-SDF-1α as tracer, in Cf2Th cells expressing hCXCR4.",,,18768385, CXCR4,71,P61073,Human,ulocuplumab,9161,,,,,,Antibody,Binding,,,yes,,pEC50,,8.65,,EC50,,2.26,,=,Measuring displacement of iodinated SDF-1 from exogenously expressed CXCR4 in vitro.,,,, CXCR4,71,P61073,Human,CX549,9701,,118965258,OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N,"InChI=1S/C33H51N11O3/c34-28(32(46)47)12-13-30(45)43-20-14-25(15-21-43)38-31-27-10-4-5-11-29(27)39-33(40-31)37-22-26-23-44(42-41-26)19-7-17-35-16-6-18-36-24-8-2-1-3-9-24/h4-5,10-11,23-25,28,35-36H,1-3,6-9,12-22,34H2,(H,46,47)(H2,37,38,39,40)/t28-/m0/s1",QOVYHDHLFPKQQG-NDEPHWFRSA-N,Antagonist,Antagonist,,,,,pIC50,,7.3,,IC50,,50.0,,~,,,,27938478, CXCR4,71,P61073,Human,TIQ-15,9882,,57345320,NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2,"InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1",MYCKNKHATQGHEV-YADHBBJMSA-N,Antagonist,Antagonist,,,,,pIC50,,8.2,,IC50,,6.25,,=,Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.,,,29350534, CXCR4,71,P61073,Human,compound 46c [PMID: 29350534],9883,,133081963,O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2,"InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1",QPAGOTNPJABYCP-FITNPZAZSA-N,Antagonist,Antagonist,,,,,pIC50,,7.81,,IC50,,15.5,,=,Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells.,,,29350534, CXCR4,71,P70658,Mouse,compound 46c [PMID: 29350534],9883,,133081963,O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2,"InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1",QPAGOTNPJABYCP-FITNPZAZSA-N,Antagonist,Antagonist,,,,,pIC50,,8.03,,IC50,,9.24,,=,,,,29350534, CXCR4,71,P61073,Human,CXCR4 antagonist 22,10146,,137321154,Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1,"InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2",XBEBHNXBLIDZDS-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,6.3,,IC50,,500.0,,=,Displacement of CXCR4-bound 125I-CXCL12 from membranes prepared from HEK293T cells expressing human CXCR4.,,,30476826, CXCR4,71,P61073,Human,motixafortide,10679,,91865076,NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2,"InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1",JJVZSYKFCOBILL-MKMRYRNGSA-N,Antagonist,Antagonist,,,,,pIC50,,9.04,,IC50,,0.91,,=,Inhibition of binding of 125I-SDF-1α (CXCL12) to CXCR4.,,,14649897, CXCR4,71,P61073,Human,balixafortide,11587,,138752609,NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NN[C@@H](C)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCC1)Cc1[nH]cnc1,"InChI=1S/C84H118N24O21S2/c1-44-70(116)102-62-41-130-131-42-63(77(123)98-57(35-46-14-20-50(110)21-15-46)69(115)68(114)53(10-5-31-91-84(88)89)94-73(119)56(28-30-86)97-79(125)64-11-6-32-106(64)81(127)45(2)93-76(122)61(40-109)101-78(62)124)103-74(120)58(36-47-16-22-51(111)23-17-47)99-72(118)55(26-27-67(87)113)95-71(117)54(9-3-4-29-85)96-80(126)65-12-7-33-107(65)83(129)66-13-8-34-108(66)82(128)60(37-48-18-24-52(112)25-19-48)100-75(121)59(105-104-44)38-49-39-90-43-92-49/h14-25,39,43-45,53-66,104-105,109-112H,3-13,26-38,40-42,85-86H2,1-2H3,(H2,87,113)(H,90,92)(H,93,122)(H,94,119)(H,95,117)(H,96,126)(H,97,125)(H,98,123)(H,99,118)(H,100,121)(H,101,124)(H,102,116)(H,103,120)(H4,88,89,91)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66-/m0/s1",OYWQJZAVFWOOBF-WBMPNIIXSA-N,Antagonist,Antagonist,,,,,,,,,,,,,=,,,,28049490,