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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RAMP1' and Ligand = 'BDBM85836'   
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
RAMP1


(PIG)
BDBM85836
PNG
([N-benzol]h alpha-CGRP8-37)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NCc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:173.178,63.66,172.175,147.148,131.132,122.123,204.207,108.109,69.70,17.21,25.32,83.84,218.221,50.51,wD:158.160,179.182,187.190,139.140,198.201,115.116,4.4,77.78,36.43,94.95,46.47,168.172,213.217,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;103.75,6.78,;105.09,7.55,;105.09,9.1,;106.42,9.87,;107.76,9.1,;109.09,9.87,;107.76,7.55,;106.42,6.78,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;7.42,-11.02,;5.96,-11.5,;5.64,-13.01,;6.78,-14.04,;8.25,-13.56,;8.57,-12.05,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)|
Show InChI InChI=1S/C146H236N44O39/c1-71(2)52-93(168-109(201)65-162-120(205)79(17)166-127(212)94(53-72(3)4)175-125(210)90(40-31-49-158-145(153)154)170-130(215)97(57-86-62-157-70-165-86)180-143(228)118(82(20)195)189-139(224)112(74(7)8)161-61-85-43-45-87(196)46-44-85)128(213)176-95(54-73(5)6)129(214)183-103(69-193)136(221)172-91(41-32-50-159-146(155)156)126(211)182-101(67-191)122(207)163-63-108(200)160-64-111(203)184-114(76(11)12)141(226)186-115(77(13)14)140(225)173-89(39-28-30-48-148)124(209)178-98(58-105(149)197)132(217)179-99(59-106(150)198)131(216)177-96(56-84-36-25-22-26-37-84)133(218)187-116(78(15)16)144(229)190-51-33-42-104(190)137(222)188-117(81(19)194)142(227)181-100(60-107(151)199)134(219)185-113(75(9)10)138(223)164-66-110(202)169-102(68-192)135(220)171-88(38-27-29-47-147)123(208)167-80(18)121(206)174-92(119(152)204)55-83-34-23-21-24-35-83/h21-26,34-37,43-46,62,70-82,88-104,112-118,161,191-196H,27-33,38-42,47-61,63-69,147-148H2,1-20H3,(H2,149,197)(H2,150,198)(H2,151,199)(H2,152,204)(H,157,165)(H,160,200)(H,162,205)(H,163,207)(H,164,223)(H,166,212)(H,167,208)(H,168,201)(H,169,202)(H,170,215)(H,171,220)(H,172,221)(H,173,225)(H,174,206)(H,175,210)(H,176,213)(H,177,216)(H,178,209)(H,179,217)(H,180,228)(H,181,227)(H,182,211)(H,183,214)(H,184,203)(H,185,219)(H,186,226)(H,187,218)(H,188,222)(H,189,224)(H4,153,154,158)(H4,155,156,159)/t79-,80-,81+,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,112-,113-,114-,115-,116-,117-,118-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.0720n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair