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BDBM50033803 CHEMBL3358150

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=FPODXQTWIGTPOD-RAPZCZQTNA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033803   
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 XIII


(Homo sapiens (Human))
BDBM50033803
PNG
(CHEMBL3358150)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C179H267N45O48S/c1-14-96(11)144(217-157(252)119(82-93(5)6)207-150(245)110(60-64-137(231)232)197-159(254)126(91-225)215-148(243)108(42-26-71-193-177(186)187)199-161(256)128-46-30-76-221(128)171(266)115(43-27-72-194-178(188)189)202-146(241)104-38-20-19-37-103(104)142-105-57-55-101(227)86-133(105)272-134-87-102(228)56-58-106(134)142)167(262)205-114(40-22-24-69-181)170(265)220-75-31-47-129(220)162(257)200-112(67-80-273-13)152(247)208-122(89-140(237)238)156(251)209-123(90-141(239)240)158(253)218-145(97(12)15-2)168(263)212-120(84-99-51-53-100(226)54-52-99)154(249)196-109(59-63-135(182)229)149(244)203-116(44-28-73-195-179(190)191)172(267)222-77-34-50-132(222)165(260)216-143(95(9)10)166(261)201-111(61-65-138(233)234)151(246)214-125(85-98-35-17-16-18-36-98)174(269)224-79-33-49-131(224)164(259)211-121(88-136(183)230)155(250)213-124(83-94(7)8)173(268)223-78-32-48-130(223)163(258)210-118(81-92(3)4)153(248)204-113(39-21-23-68-180)169(264)219-74-29-45-127(219)160(255)198-107(41-25-70-192-176(184)185)147(242)206-117(175(270)271)62-66-139(235)236/h16-20,35-38,51-58,86-87,92-97,107-132,143-145,225-227H,14-15,21-34,39-50,59-85,88-91,180-181H2,1-13H3,(H2,182,229)(H2,183,230)(H,196,249)(H,197,254)(H,198,255)(H,199,256)(H,200,257)(H,201,261)(H,202,241)(H,203,244)(H,204,248)(H,205,262)(H,206,242)(H,207,245)(H,208,247)(H,209,251)(H,210,258)(H,211,259)(H,212,263)(H,213,250)(H,214,246)(H,215,243)(H,216,260)(H,217,252)(H,218,253)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,270,271)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)/t96-,97-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 800n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to recombinant F13A (unknown origin) by microscale thermophoresis method


J Med Chem 57: 10355-65 (2014)


Article DOI: 10.1021/jm501058g
BindingDB Entry DOI: 10.7270/Q2PV6MZQ
More data for this
Ligand-Target Pair