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Compile Data Set for Download or QSAR

Found 3 hits from Endotis Pharma   
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
Coagulation factor X


(Bos taurus)
BDBM50323720
PNG
(CHEMBL1213113)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(CSC1CC(=O)N(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H]2[C@@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](O[C@@H]4[C@@H](CS([O-])(=O)=O)O[C@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@H](O[C@H]6[C@H](COS([O-])(=O)=O)O[C@@H](OC)[C@@H](OS([O-])(=O)=O)[C@H]6OS([O-])(=O)=O)O[C@H]5C([O-])=O)[C@H](CS([O-])(=O)=O)[C@H]4CS([O-])(=O)=O)O[C@]3(CC)C([O-])=O)O[C@@H](COS([O-])(=O)=O)[C@H](OC)[C@H]2OC)C1=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C315H499N53O142S8/c1-32-179(20)253(304(434)341-208(66-76-251(396)397)276(406)336-207(65-75-250(394)395)281(411)361-228(161-370)299(429)340-202(60-70-239(319)379)277(407)355-223(151-240(320)380)292(422)337-201(59-69-238(318)378)274(404)332-199(57-67-236(316)376)272(402)334-205(63-73-248(390)391)279(409)344-212(139-173(8)9)287(417)356-224(152-241(321)381)293(423)339-203(61-71-246(386)387)275(405)333-200(58-68-237(317)377)273(403)335-204(62-72-247(388)389)278(408)343-211(138-172(6)7)284(414)346-210(137-171(4)5)283(413)338-206(64-74-249(392)393)280(410)345-213(140-174(10)11)288(418)358-226(154-252(398)399)295(425)347-214(141-175(12)13)285(415)352-219(147-186-156-326-196-50-41-38-47-191(186)196)282(412)330-181(22)271(401)360-227(160-369)300(430)348-215(142-176(14)15)286(416)353-221(149-188-158-328-198-52-43-40-49-193(188)198)290(420)357-225(153-242(322)382)294(424)354-220(148-187-157-327-197-51-42-39-48-192(187)197)289(419)342-209(270(323)400)145-184-45-36-35-37-46-184)365-296(426)216(143-177(16)17)349-301(431)229(162-371)362-291(421)222(150-189-159-324-170-329-189)359-305(435)254(180(21)33-2)366-297(427)217(144-178(18)19)350-302(432)230(163-372)363-306(436)255(182(23)373)367-298(428)218(146-185-53-55-190(375)56-54-185)351-303(433)231(331-183(24)374)166-511-235-155-245(385)368(307(235)437)80-77-243(383)325-79-84-473-88-92-477-96-100-481-104-108-485-112-116-489-120-124-492-126-128-494-130-132-496-134-136-497-135-133-495-131-129-493-127-125-491-122-118-487-114-110-483-106-102-479-98-94-475-90-86-471-82-44-81-470-85-89-474-93-97-478-101-105-482-109-113-486-117-121-490-123-119-488-115-111-484-107-103-480-99-95-476-91-87-472-83-78-244(384)364-256-260(464-26)258(463-25)232(164-498-515(451,452)453)500-310(256)507-269-264(466-28)267(468-30)313(508-315(269,34-3)314(440)441)503-257-194(167-512(442,443)444)195(168-513(445,446)447)309(502-234(257)169-514(448,449)450)505-262-261(465-27)266(467-29)312(506-265(262)308(438)439)504-259-233(165-499-516(454,455)456)501-311(469-31)268(510-518(460,461)462)263(259)509-517(457,458)459/h35-43,45-56,156-159,170-182,194-195,199-235,253-269,309-313,326-328,369-373,375H,32-34,44,57-155,160-169H2,1-31H3,(H2,316,376)(H2,317,377)(H2,318,378)(H2,319,379)(H2,320,380)(H2,321,381)(H2,322,382)(H2,323,400)(H,324,329)(H,325,383)(H,330,412)(H,331,374)(H,332,404)(H,333,405)(H,334,402)(H,335,403)(H,336,406)(H,337,422)(H,338,413)(H,339,423)(H,340,429)(H,341,434)(H,342,419)(H,343,408)(H,344,409)(H,345,410)(H,346,414)(H,347,425)(H,348,430)(H,349,431)(H,350,432)(H,351,433)(H,352,415)(H,353,416)(H,354,424)(H,355,407)(H,356,417)(H,357,420)(H,358,418)(H,359,435)(H,360,401)(H,361,411)(H,362,421)(H,363,436)(H,364,384)(H,365,426)(H,366,427)(H,367,428)(H,386,387)(H,388,389)(H,390,391)(H,392,393)(H,394,395)(H,396,397)(H,398,399)(H,438,439)(H,440,441)(H,442,443,444)(H,445,446,447)(H,448,449,450)(H,451,452,453)(H,454,455,456)(H,457,458,459)(H,460,461,462)/p-9/t179-,180-,181-,182+,194+,195+,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231?,232-,233-,234+,235?,253-,254-,255-,256-,257-,258-,259-,260-,261-,262-,263-,264+,265+,266+,267+,268-,269-,309+,310+,311+,312+,313+,315-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Endotis Pharma

Curated by ChEMBL


Assay Description
Inhibition of bovine coagulation factor 10a by spectrophotometry


Antimicrob Agents Chemother 54: 134-42 (2009)


Article DOI: 10.1128/AAC.00827-09
BindingDB Entry DOI: 10.7270/Q23N23KQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50323719
PNG
(CHEMBL1213112)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(CSC1CC(=O)N(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H]2[C@@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](O[C@@H]4[C@@H](CS([O-])(=O)=O)O[C@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@H](O[C@H]6[C@H](COS([O-])(=O)=O)O[C@@H](OC)[C@@H](OS([O-])(=O)=O)[C@H]6OS([O-])(=O)=O)O[C@H]5C([O-])=O)[C@H](CS([O-])(=O)=O)[C@H]4CS([O-])(=O)=O)O[C@]3(CC)C([O-])=O)O[C@@H](COS([O-])(=O)=O)[C@H](OC)[C@H]2OC)C1=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C282H433N53O126S8/c1-32-146(20)220(332-263(393)183(110-144(16)17)316-268(398)196(129-338)329-258(388)189(117-156-126-291-137-296-156)326-272(402)221(147(21)33-2)333-264(394)184(111-145(18)19)317-269(399)197(130-339)330-273(403)222(149(23)340)334-265(395)185(113-152-52-54-157(342)55-53-152)318-270(400)198(298-150(24)341)133-462-202-122-212(352)335(274(202)404)79-76-210(350)292-78-81-438-83-85-440-87-89-442-91-93-444-95-97-446-99-101-448-103-102-447-100-98-445-96-94-443-92-90-441-88-86-439-84-82-437-80-77-211(351)331-223-227(431-26)225(430-25)199(131-449-466(418,419)420)451-277(223)458-236-231(433-28)234(435-30)280(459-282(236,34-3)281(407)408)454-224-161(134-463(409,410)411)162(135-464(412,413)414)276(453-201(224)136-465(415,416)417)456-229-228(432-27)233(434-29)279(457-232(229)275(405)406)455-226-200(132-450-467(421,422)423)452-278(436-31)235(461-469(427,428)429)230(226)460-468(424,425)426)271(401)308-175(65-75-218(363)364)243(373)303-174(64-74-217(361)362)248(378)328-195(128-337)266(396)307-169(59-69-206(286)346)244(374)322-190(118-207(287)347)259(389)304-168(58-68-205(285)345)241(371)299-166(56-66-203(283)343)239(369)301-172(62-72-215(357)358)246(376)311-179(106-140(8)9)254(384)323-191(119-208(288)348)260(390)306-170(60-70-213(353)354)242(372)300-167(57-67-204(284)344)240(370)302-171(61-71-214(355)356)245(375)310-178(105-139(6)7)251(381)313-177(104-138(4)5)250(380)305-173(63-73-216(359)360)247(377)312-180(107-141(10)11)255(385)325-193(121-219(365)366)262(392)314-181(108-142(12)13)252(382)319-186(114-153-123-293-163-49-41-38-46-158(153)163)249(379)297-148(22)238(368)327-194(127-336)267(397)315-182(109-143(14)15)253(383)320-188(116-155-125-295-165-51-43-40-48-160(155)165)257(387)324-192(120-209(289)349)261(391)321-187(115-154-124-294-164-50-42-39-47-159(154)164)256(386)309-176(237(290)367)112-151-44-36-35-37-45-151/h35-55,123-126,137-149,161-162,166-202,220-236,276-280,293-295,336-340,342H,32-34,56-122,127-136H2,1-31H3,(H2,283,343)(H2,284,344)(H2,285,345)(H2,286,346)(H2,287,347)(H2,288,348)(H2,289,349)(H2,290,367)(H,291,296)(H,292,350)(H,297,379)(H,298,341)(H,299,371)(H,300,372)(H,301,369)(H,302,370)(H,303,373)(H,304,389)(H,305,380)(H,306,390)(H,307,396)(H,308,401)(H,309,386)(H,310,375)(H,311,376)(H,312,377)(H,313,381)(H,314,392)(H,315,397)(H,316,398)(H,317,399)(H,318,400)(H,319,382)(H,320,383)(H,321,391)(H,322,374)(H,323,384)(H,324,387)(H,325,385)(H,326,402)(H,327,368)(H,328,378)(H,329,388)(H,330,403)(H,331,351)(H,332,393)(H,333,394)(H,334,395)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,405,406)(H,407,408)(H,409,410,411)(H,412,413,414)(H,415,416,417)(H,418,419,420)(H,421,422,423)(H,424,425,426)(H,427,428,429)/p-9/t146-,147-,148-,149+,161+,162+,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198?,199-,200-,201+,202?,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231+,232+,233+,234+,235-,236-,276+,277+,278+,279+,280+,282-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Endotis Pharma

Curated by ChEMBL


Assay Description
Inhibition of bovine coagulation factor 10a by spectrophotometry


Antimicrob Agents Chemother 54: 134-42 (2009)


Article DOI: 10.1128/AAC.00827-09
BindingDB Entry DOI: 10.7270/Q23N23KQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50323718
PNG
(CHEMBL1213080)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(CSC1CC(=O)N(CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H]2[C@@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](O[C@@H]4[C@@H](CS([O-])(=O)=O)O[C@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@H](O[C@H]6[C@H](COS([O-])(=O)=O)O[C@@H](OC)[C@@H](OS([O-])(=O)=O)[C@H]6OS([O-])(=O)=O)O[C@H]5C([O-])=O)[C@H](CS([O-])(=O)=O)[C@H]4CS([O-])(=O)=O)O[C@]3(CC)C([O-])=O)O[C@@H](COS([O-])(=O)=O)[C@H](OC)[C@H]2OC)C1=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C266H401N53O118S8/c1-32-130(20)204(316-247(377)167(94-128(16)17)300-252(382)180(113-322)313-242(372)173(101-140-110-275-121-280-140)310-256(386)205(131(21)33-2)317-248(378)168(95-129(18)19)301-253(383)181(114-323)314-257(387)206(133(23)324)318-249(379)169(97-136-52-54-141(326)55-53-136)302-254(384)182(282-134(24)325)117-438-186-106-196(336)319(258(186)388)79-76-194(334)276-78-81-422-83-85-424-87-86-423-84-82-421-80-77-195(335)315-207-211(415-26)209(414-25)183(115-425-442(402,403)404)427-261(207)434-220-215(417-28)218(419-30)264(435-266(220,34-3)265(391)392)430-208-145(118-439(393,394)395)146(119-440(396,397)398)260(429-185(208)120-441(399,400)401)432-213-212(416-27)217(418-29)263(433-216(213)259(389)390)431-210-184(116-426-443(405,406)407)428-262(420-31)219(437-445(411,412)413)214(210)436-444(408,409)410)255(385)292-159(65-75-202(347)348)227(357)287-158(64-74-201(345)346)232(362)312-179(112-321)250(380)291-153(59-69-190(270)330)228(358)306-174(102-191(271)331)243(373)288-152(58-68-189(269)329)225(355)283-150(56-66-187(267)327)223(353)285-156(62-72-199(341)342)230(360)295-163(90-124(8)9)238(368)307-175(103-192(272)332)244(374)290-154(60-70-197(337)338)226(356)284-151(57-67-188(268)328)224(354)286-155(61-71-198(339)340)229(359)294-162(89-123(6)7)235(365)297-161(88-122(4)5)234(364)289-157(63-73-200(343)344)231(361)296-164(91-125(10)11)239(369)309-177(105-203(349)350)246(376)298-165(92-126(12)13)236(366)303-170(98-137-107-277-147-49-41-38-46-142(137)147)233(363)281-132(22)222(352)311-178(111-320)251(381)299-166(93-127(14)15)237(367)304-172(100-139-109-279-149-51-43-40-48-144(139)149)241(371)308-176(104-193(273)333)245(375)305-171(99-138-108-278-148-50-42-39-47-143(138)148)240(370)293-160(221(274)351)96-135-44-36-35-37-45-135/h35-55,107-110,121-133,145-146,150-186,204-220,260-264,277-279,320-324,326H,32-34,56-106,111-120H2,1-31H3,(H2,267,327)(H2,268,328)(H2,269,329)(H2,270,330)(H2,271,331)(H2,272,332)(H2,273,333)(H2,274,351)(H,275,280)(H,276,334)(H,281,363)(H,282,325)(H,283,355)(H,284,356)(H,285,353)(H,286,354)(H,287,357)(H,288,373)(H,289,364)(H,290,374)(H,291,380)(H,292,385)(H,293,370)(H,294,359)(H,295,360)(H,296,361)(H,297,365)(H,298,376)(H,299,381)(H,300,382)(H,301,383)(H,302,384)(H,303,366)(H,304,367)(H,305,375)(H,306,358)(H,307,368)(H,308,371)(H,309,369)(H,310,386)(H,311,352)(H,312,362)(H,313,372)(H,314,387)(H,315,335)(H,316,377)(H,317,378)(H,318,379)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,389,390)(H,391,392)(H,393,394,395)(H,396,397,398)(H,399,400,401)(H,402,403,404)(H,405,406,407)(H,408,409,410)(H,411,412,413)/p-9/t130-,131-,132+,133+,145+,146+,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160+,161-,162-,163-,164+,165+,166+,167-,168-,169-,170+,171+,172+,173-,174-,175-,176+,177+,178+,179-,180-,181-,182?,183-,184-,185+,186?,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215+,216+,217+,218+,219-,220-,260+,261+,262+,263+,264+,266-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 93n/an/an/an/an/an/a



Endotis Pharma

Curated by ChEMBL


Assay Description
Inhibition of bovine coagulation factor 10a by spectrophotometry


Antimicrob Agents Chemother 54: 134-42 (2009)


Article DOI: 10.1128/AAC.00827-09
BindingDB Entry DOI: 10.7270/Q23N23KQ
More data for this
Ligand-Target Pair