new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin receptor' and Ligand = 'BDBM50110264'   
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
Calcitonin receptor


(Rattus norvegicus)
BDBM50110264
PNG
(CGNLSTCMLGTYTQDFc[DKFHO]FPQTAIGVGAP-amide | CHEMBL...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)N1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C151H227N39O43S3/c1-16-77(8)120(145(227)163-69-116(203)183-119(76(6)7)144(226)162-66-114(201)165-79(10)150(232)189-52-29-39-108(189)126(157)208)185-127(209)78(9)166-146(228)122(81(12)193)186-133(215)94(46-48-111(155)198)171-143(225)109-40-30-53-190(109)151(233)105(60-86-35-24-19-25-36-86)180-130(212)92-38-28-51-159-113(200)63-103(138(220)169-91(37-26-27-50-152)125(207)96(57-84-31-20-17-21-32-84)173-136(218)101(167-92)61-88-65-158-73-164-88)177-135(217)99(58-85-33-22-18-23-34-85)176-139(221)104(64-118(205)206)178-131(213)93(45-47-110(154)197)172-148(230)123(82(13)194)187-140(222)100(59-87-41-43-89(196)44-42-87)179-147(229)121(80(11)192)184-117(204)68-161-129(211)97(55-74(2)3)174-132(214)95(49-54-236-15)170-142(224)107(72-235)182-149(231)124(83(14)195)188-141(223)106(70-191)181-134(216)98(56-75(4)5)175-137(219)102(62-112(156)199)168-115(202)67-160-128(210)90(153)71-234/h17-25,31-36,41-44,65,73-83,90-109,119-124,167,191-196,234-235H,16,26-30,37-40,45-64,66-72,152-153H2,1-15H3,(H2,154,197)(H2,155,198)(H2,156,199)(H2,157,208)(H,158,164)(H,159,200)(H,160,210)(H,161,211)(H,162,226)(H,163,227)(H,165,201)(H,166,228)(H,168,202)(H,169,220)(H,170,224)(H,171,225)(H,172,230)(H,173,218)(H,174,214)(H,175,219)(H,176,221)(H,177,217)(H,178,213)(H,179,229)(H,180,212)(H,181,216)(H,182,231)(H,183,203)(H,184,204)(H,185,209)(H,186,215)(H,187,222)(H,188,223)(H,205,206)/t77-,78-,79-,80+,81+,82+,83+,90-,91-,92-,93-,94-,95-,96?,97-,98-,99-,100-,101?,102-,103-,104-,105-,106-,107-,108+,109+,119-,120-,121-,122-,123-,124-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 173n/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain


J Med Chem 45: 1108-21 (2002)


BindingDB Entry DOI: 10.7270/Q2N015V5
More data for this
Ligand-Target Pair