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Compile Data Set for Download or QSAR

Found 13 hits of ic50 for UniProtKB: P32302   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50334986
PNG
(4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...)
Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1
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Article
PubMed
n/an/a 4.67n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50485935
PNG
(CHEMBL2179461)
Show SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC[n+]1ccc(cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](Cc4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](Cc8cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)c8)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](Cc8cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)cc(C[n+]9ccc(cc9)-c9cc[n+](Cc%10cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)cc(C[n+]%11ccc(cc%11)-c%11cc[n+](CC)cc%11)c%10)cc9)c8)cc7)c6)cc5)c4)cc3)c2)cc1
Show InChI InChI=1S/C324H318N42/c1-13-325-109-25-283(26-110-325)295-49-133-337(134-50-295)223-253-193-254(224-338-135-51-296(52-136-338)284-27-111-326(14-2)112-28-284)200-265(199-253)235-349-157-73-307(74-158-349)313-85-169-355(170-86-313)241-271-211-272(242-356-171-87-314(88-172-356)308-75-159-350(160-76-308)236-266-201-255(225-339-137-53-297(54-138-339)285-29-113-327(15-3)114-30-285)194-256(202-266)226-340-139-55-298(56-140-340)286-31-115-328(16-4)116-32-286)215-277(214-271)247-361-181-97-319(98-182-361)322-103-187-364(188-104-322)250-280-220-281(251-365-189-105-323(106-190-365)320-99-183-362(184-100-320)248-278-216-273(243-357-173-89-315(90-174-357)309-77-161-351(162-78-309)237-267-203-257(227-341-141-57-299(58-142-341)287-33-117-329(17-5)118-34-287)195-258(204-267)228-342-143-59-300(60-144-342)288-35-119-330(18-6)120-36-288)212-274(217-278)244-358-175-91-316(92-176-358)310-79-163-352(164-80-310)238-268-205-259(229-343-145-61-301(62-146-343)289-37-121-331(19-7)122-38-289)196-260(206-268)230-344-147-63-302(64-148-344)290-39-123-332(20-8)124-40-290)222-282(221-280)252-366-191-107-324(108-192-366)321-101-185-363(186-102-321)249-279-218-275(245-359-177-93-317(94-178-359)311-81-165-353(166-82-311)239-269-207-261(231-345-149-65-303(66-150-345)291-41-125-333(21-9)126-42-291)197-262(208-269)232-346-151-67-304(68-152-346)292-43-127-334(22-10)128-44-292)213-276(219-279)246-360-179-95-318(96-180-360)312-83-167-354(168-84-312)240-270-209-263(233-347-153-69-305(70-154-347)293-45-129-335(23-11)130-46-293)198-264(210-270)234-348-155-71-306(72-156-348)294-47-131-336(24-12)132-48-294/h25-222H,13-24,223-252H2,1-12H3/q+42
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n/an/a 541n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM94074
PNG
(2-[(2S,6S,8E,12S)-12-[(4-fluorophenyl)methyl]-5,13...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@@H]1C\C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1 |t:17|
Show InChI InChI=1S/C35H39FN2O5/c36-31-18-16-26(17-19-31)22-30-15-9-3-8-14-29(23-33(40)38(20-21-39)25-27-10-4-1-5-11-27)34(41)37-24-32(43-35(30)42)28-12-6-2-7-13-28/h1-8,10-13,16-19,29-30,32,39H,9,14-15,20-25H2,(H,37,41)/b8-3+/t29-,30-,32+/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2S1814B
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50485934
PNG
(CHEMBL2179464)
Show SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](Cc5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](Cc9cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)c9)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](Cc9cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)cc(C[n+]%10ccc(cc%10)-c%10cc[n+](Cc%11cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc(C[n+]%12ccc(cc%12)-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)c%11)cc%10)c9)cc8)c7)cc6)c5)cc4)c3)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C396H378N66O24/c1-289-247-451(385(475)397-373(289)463)121-13-109-409-133-25-331(26-134-409)343-49-157-421(158-50-343)259-301-217-302(260-422-159-51-344(52-160-422)332-27-135-410(136-28-332)110-14-122-452-248-290(2)374(464)398-386(452)476)224-313(223-301)271-433-181-73-355(74-182-433)361-85-193-439(194-86-361)277-319-235-320(278-440-195-87-362(88-196-440)356-75-183-434(184-76-356)272-314-225-303(261-423-161-53-345(54-162-423)333-29-137-411(138-30-333)111-15-123-453-249-291(3)375(465)399-387(453)477)218-304(226-314)262-424-163-55-346(56-164-424)334-31-139-412(140-32-334)112-16-124-454-250-292(4)376(466)400-388(454)478)239-325(238-319)283-445-205-97-367(98-206-445)370-103-211-448(212-104-370)286-328-244-329(287-449-213-105-371(106-214-449)368-99-207-446(208-100-368)284-326-240-321(279-441-197-89-363(90-198-441)357-77-185-435(186-78-357)273-315-227-305(263-425-165-57-347(58-166-425)335-33-141-413(142-34-335)113-17-125-455-251-293(5)377(467)401-389(455)479)219-306(228-315)264-426-167-59-348(60-168-426)336-35-143-414(144-36-336)114-18-126-456-252-294(6)378(468)402-390(456)480)236-322(241-326)280-442-199-91-364(92-200-442)358-79-187-436(188-80-358)274-316-229-307(265-427-169-61-349(62-170-427)337-37-145-415(146-38-337)115-19-127-457-253-295(7)379(469)403-391(457)481)220-308(230-316)266-428-171-63-350(64-172-428)338-39-147-416(148-40-338)116-20-128-458-254-296(8)380(470)404-392(458)482)246-330(245-328)288-450-215-107-372(108-216-450)369-101-209-447(210-102-369)285-327-242-323(281-443-201-93-365(94-202-443)359-81-189-437(190-82-359)275-317-231-309(267-429-173-65-351(66-174-429)339-41-149-417(150-42-339)117-21-129-459-255-297(9)381(471)405-393(459)483)221-310(232-317)268-430-175-67-352(68-176-430)340-43-151-418(152-44-340)118-22-130-460-256-298(10)382(472)406-394(460)484)237-324(243-327)282-444-203-95-366(96-204-444)360-83-191-438(192-84-360)276-318-233-311(269-431-177-69-353(70-178-431)341-45-153-419(154-46-341)119-23-131-461-257-299(11)383(473)407-395(461)485)222-312(234-318)270-432-179-71-354(72-180-432)342-47-155-420(156-48-342)120-24-132-462-258-300(12)384(474)408-396(462)486/h25-108,133-258H,13-24,109-132,259-288H2,1-12H3/q+30/p+12
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n/an/a 1.75E+3n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50485932
PNG
(CHEMBL2179458)
Show SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](Cc5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)c5)cc4)c3)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C174H168N30O12/c1-127-109-199(169(211)175-163(127)205)55-7-49-181-61-13-145(14-62-181)151-25-73-187(74-26-151)115-133-97-134(116-188-75-27-152(28-76-188)146-15-63-182(64-16-146)50-8-56-200-110-128(2)164(206)176-170(200)212)101-139(100-133)121-193-85-37-157(38-86-193)160-43-91-196(92-44-160)124-142-106-143(125-197-93-45-161(46-94-197)158-39-87-194(88-40-158)122-140-102-135(117-189-77-29-153(30-78-189)147-17-65-183(66-18-147)51-9-57-201-111-129(3)165(207)177-171(201)213)98-136(103-140)118-190-79-31-154(32-80-190)148-19-67-184(68-20-148)52-10-58-202-112-130(4)166(208)178-172(202)214)108-144(107-142)126-198-95-47-162(48-96-198)159-41-89-195(90-42-159)123-141-104-137(119-191-81-33-155(34-82-191)149-21-69-185(70-22-149)53-11-59-203-113-131(5)167(209)179-173(203)215)99-138(105-141)120-192-83-35-156(36-84-192)150-23-71-186(72-24-150)54-12-60-204-114-132(6)168(210)180-174(204)216/h13-48,61-114H,7-12,49-60,115-126H2,1-6H3/q+12/p+6
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n/an/a 1.82E+3n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50485937
PNG
(CHEMBL2179459)
Show SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](Cc5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(c5)-[n+]5ccc(cc5)-c5cc[n+](cc5)-c5cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)cc(C[n+]6ccc(cc6)-c6cc[n+](Cc7cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)cc(C[n+]8ccc(cc8)-c8cc[n+](CCCn9cc(C)c(=O)[nH]c9=O)cc8)c7)cc6)c5)cc4)c3)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C246H234N42O16/c1-179-155-281(239(297)247-231(179)289)77-9-69-255-85-17-203(18-86-255)211-33-101-263(102-34-211)163-187-137-188(164-264-103-35-212(36-104-264)204-19-87-256(88-20-204)70-10-78-282-156-180(2)232(290)248-240(282)298)142-195(141-187)171-271-117-49-219(50-118-271)223-57-125-275(126-58-223)175-199-149-200(176-276-127-59-224(60-128-276)220-51-119-272(120-52-220)172-196-143-189(165-265-105-37-213(38-106-265)205-21-89-257(90-22-205)71-11-79-283-157-181(3)233(291)249-241(283)299)138-190(144-196)166-266-107-39-214(40-108-266)206-23-91-258(92-24-206)72-12-80-284-158-182(4)234(292)250-242(284)300)152-229(151-199)279-133-65-227(66-134-279)228-67-135-280(136-68-228)230-153-201(177-277-129-61-225(62-130-277)221-53-121-273(122-54-221)173-197-145-191(167-267-109-41-215(42-110-267)207-25-93-259(94-26-207)73-13-81-285-159-183(5)235(293)251-243(285)301)139-192(146-197)168-268-111-43-216(44-112-268)208-27-95-260(96-28-208)74-14-82-286-160-184(6)236(294)252-244(286)302)150-202(154-230)178-278-131-63-226(64-132-278)222-55-123-274(124-56-222)174-198-147-193(169-269-113-45-217(46-114-269)209-29-97-261(98-30-209)75-15-83-287-161-185(7)237(295)253-245(287)303)140-194(148-198)170-270-115-47-218(48-116-270)210-31-99-262(100-32-210)76-16-84-288-162-186(8)238(296)254-246(288)304/h17-68,85-162H,9-16,69-84,163-178H2,1-8H3/q+18/p+8
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n/an/a 3.71E+3n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50485938
PNG
(CHEMBL2179462)
Show SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC[n+]1ccc(cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](Cc4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)c4)cc3)c2)cc1
Show InChI InChI=1S/C138H138N18/c1-7-139-49-13-121(14-50-139)127-25-61-145(62-26-127)97-109-85-110(98-146-63-27-128(28-64-146)122-15-51-140(8-2)52-16-122)89-115(88-109)103-151-73-37-133(38-74-151)136-43-79-154(80-44-136)106-118-94-119(107-155-81-45-137(46-82-155)134-39-75-152(76-40-134)104-116-90-111(99-147-65-29-129(30-66-147)123-17-53-141(9-3)54-18-123)86-112(91-116)100-148-67-31-130(32-68-148)124-19-55-142(10-4)56-20-124)96-120(95-118)108-156-83-47-138(48-84-156)135-41-77-153(78-42-135)105-117-92-113(101-149-69-33-131(34-70-149)125-21-57-143(11-5)58-22-125)87-114(93-117)102-150-71-35-132(36-72-150)126-23-59-144(12-6)60-24-126/h13-96H,7-12,97-108H2,1-6H3/q+18
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n/an/a 4.93E+3n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50255479
PNG
(CHEMBL4067429)
Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1|
Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR5 (unknown origin)


J Med Chem 61: 2518-2532 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01854
BindingDB Entry DOI: 10.7270/Q2959M1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50485936
PNG
(CHEMBL2179463)
Show SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CCc1cc[n+](cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](Cc4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(c4)-[n+]4ccc(cc4)-c4cc[n+](cc4)-c4cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)cc(C[n+]5ccc(cc5)-c5cc[n+](Cc6cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)cc(C[n+]7ccc(cc7)-c7cc[n+](CC)cc7)c6)cc5)c4)cc3)c2)cc1
Show InChI InChI=1S/C198H194N26/c1-9-155-17-115-222(116-18-155)196-67-113-221(114-68-196)150-167-131-165(148-212-95-45-185(46-96-212)178-31-81-205(16-8)82-32-178)130-166(132-167)149-216-103-53-189(54-104-216)193-61-111-220(112-62-193)154-171-134-170(153-219-109-59-192(60-110-219)188-51-101-215(102-52-188)147-164-128-160(143-210-91-41-183(42-92-210)176-27-77-203(14-6)78-28-176)123-161(129-164)144-211-93-43-184(44-94-211)177-29-79-204(15-7)80-30-177)137-198(138-171)224-119-65-195(66-120-224)194-63-117-223(118-64-194)197-135-168(151-217-105-55-190(56-106-217)186-47-97-213(98-48-186)145-162-124-156(139-206-83-33-179(34-84-206)172-19-69-199(10-2)70-20-172)121-157(125-162)140-207-85-35-180(36-86-207)173-21-71-200(11-3)72-22-173)133-169(136-197)152-218-107-57-191(58-108-218)187-49-99-214(100-50-187)146-163-126-158(141-208-87-37-181(38-88-208)174-23-73-201(12-4)74-24-174)122-159(127-163)142-209-89-39-182(40-90-209)175-25-75-202(13-5)76-26-175/h17-138H,9-16,139-154H2,1-8H3/q+26
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM94075
PNG
(2-[(2R,6R,8E,12R)-12-[(4-fluorophenyl)methyl]-5,13...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@@H](CNC1=O)c1ccccc1 |t:17|
Show InChI InChI=1S/C35H39FN2O5/c36-31-18-16-26(17-19-31)22-30-15-9-3-8-14-29(23-33(40)38(20-21-39)25-27-10-4-1-5-11-27)34(41)37-24-32(43-35(30)42)28-12-6-2-7-13-28/h1-8,10-13,16-19,29-30,32,39H,9,14-15,20-25H2,(H,37,41)/b8-3+/t29-,30-,32+/m1/s1
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n/an/a 1.69E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2S1814B
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50485933
PNG
(CHEMBL2179460)
Show SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.Cc1cn(CCC[n+]2ccc(cc2)-c2cc[n+](Cc3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(c3)-[n+]3ccc(cc3)-c3cc[n+](cc3)-c3cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)cc(C[n+]4ccc(cc4)-c4cc[n+](CCCn5cc(C)c(=O)[nH]c5=O)cc4)c3)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C98H94N18O8/c1-71-63-113(95(121)99-91(71)117)33-5-29-103-37-9-79(10-38-103)83-17-45-107(46-18-83)67-75-57-76(68-108-47-19-84(20-48-108)80-11-39-104(40-12-80)30-6-34-114-64-72(2)92(118)100-96(114)122)60-89(59-75)111-53-25-87(26-54-111)88-27-55-112(56-28-88)90-61-77(69-109-49-21-85(22-50-109)81-13-41-105(42-14-81)31-7-35-115-65-73(3)93(119)101-97(115)123)58-78(62-90)70-110-51-23-86(24-52-110)82-15-43-106(44-16-82)32-8-36-116-66-74(4)94(120)102-98(116)124/h9-28,37-66H,5-8,29-36,67-70H2,1-4H3/q+6/p+4
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n/an/a>3.22E+4n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50485939
PNG
(CHEMBL1083554)
Show SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC[n+]1ccc(cc1)-c1cc[n+](Cc2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(c2)-[n+]2ccc(cc2)-c2cc[n+](cc2)-c2cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)cc(C[n+]3ccc(cc3)-c3cc[n+](CC)cc3)c2)cc1
Show InChI InChI=1S/C74H74N10/c1-5-75-29-9-63(10-30-75)67-17-37-79(38-18-67)55-59-49-60(56-80-39-19-68(20-40-80)64-11-31-76(6-2)32-12-64)52-73(51-59)83-45-25-71(26-46-83)72-27-47-84(48-28-72)74-53-61(57-81-41-21-69(22-42-81)65-13-33-77(7-3)34-14-65)50-62(54-74)58-82-43-23-70(24-44-82)66-15-35-78(8-4)36-16-66/h9-54H,5-8,55-58H2,1-4H3/q+10
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n/an/a>3.91E+4n/an/an/an/an/an/a



University of Osnabr£ck

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by...


J Med Chem 55: 10405-13 (2012)


Article DOI: 10.1021/jm301337y
BindingDB Entry DOI: 10.7270/Q26M39QZ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50539457
PNG
(CHEMBL4645971)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1Cl |r,TLB:10:8:25:4.2.3|
Show InChI InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+
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n/an/a>8.00E+4n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR5


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126899
BindingDB Entry DOI: 10.7270/Q2K077T6
More data for this
Ligand-Target Pair