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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50323719'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 |r|
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
KEGG
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