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

Found 88 hits with Last Name = 'bello' and Initial = 'ml'   
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
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50388999
PNG
(CHEMBL2064013)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:105.121,80.89,61.70,36.43,19.23,4.4,127.132,140.145,wD:91.105,72.78,47.59,27.32,8.15,135.141,(37.4,-43.99,;37.39,-45.53,;38.73,-46.31,;36.05,-46.3,;36.05,-47.84,;34.71,-48.6,;33.38,-47.83,;33.39,-46.29,;32.04,-48.59,;32.04,-50.13,;33.37,-50.91,;33.36,-52.45,;34.69,-53.23,;34.68,-54.77,;33.35,-55.53,;36.02,-55.54,;30.71,-47.82,;29.38,-48.59,;29.37,-50.13,;28.05,-47.81,;28.05,-46.27,;29.38,-45.5,;30.72,-46.28,;29.39,-43.97,;26.7,-48.58,;25.37,-47.8,;25.38,-46.26,;24.04,-48.56,;24.03,-50.11,;25.36,-50.88,;25.36,-52.42,;24.02,-53.19,;26.69,-53.2,;22.71,-47.79,;21.38,-48.56,;21.37,-50.09,;20.04,-47.78,;20.05,-46.25,;21.38,-45.47,;21.39,-43.94,;22.72,-43.17,;22.73,-41.63,;21.4,-40.85,;24.07,-40.86,;18.7,-48.55,;17.37,-47.77,;17.38,-46.23,;16.04,-48.54,;16.03,-50.08,;17.36,-50.85,;18.77,-50.23,;19.8,-51.38,;19.03,-52.71,;19.49,-54.17,;18.46,-55.32,;16.95,-54.99,;16.48,-53.53,;17.52,-52.38,;14.71,-47.76,;13.37,-48.52,;13.36,-50.07,;12.03,-47.75,;12.04,-46.21,;13.38,-45.44,;13.39,-43.9,;14.72,-43.14,;14.73,-41.6,;13.4,-40.82,;16.07,-40.83,;10.7,-48.51,;9.37,-47.74,;9.38,-46.19,;8.03,-48.5,;8.02,-50.04,;9.36,-50.82,;10.69,-50.06,;9.35,-52.36,;6.7,-47.73,;5.36,-48.5,;5.36,-50.03,;4.03,-47.72,;4.04,-46.18,;5.37,-45.41,;5.38,-43.88,;6.72,-43.11,;6.73,-41.57,;5.4,-40.79,;8.06,-40.8,;2.7,-48.49,;1.37,-47.71,;1.37,-46.17,;.03,-48.47,;.02,-50.01,;1.36,-50.79,;2.77,-50.17,;3.79,-51.32,;3.01,-52.65,;3.48,-54.12,;2.45,-55.25,;.94,-54.93,;.47,-53.46,;1.51,-52.33,;-1.3,-47.7,;-2.64,-48.46,;-2.64,-50,;-3.97,-47.69,;-3.96,-46.15,;-2.63,-45.38,;-1.22,-46.01,;-.19,-44.87,;-.96,-43.54,;-.47,-42.07,;-1.5,-40.92,;-3.01,-41.24,;-3.49,-42.7,;-2.46,-43.85,;-5.3,-48.46,;-6.64,-47.69,;-7.96,-48.47,;-6.64,-46.16,;37.38,-48.61,;37.37,-50.15,;38.71,-47.85,;40.04,-48.63,;41.39,-47.86,;41.39,-46.32,;42.72,-48.64,;44.05,-47.87,;44.06,-46.33,;45.4,-45.56,;45.4,-44.03,;46.73,-46.34,;45.38,-48.64,;45.38,-50.18,;46.72,-47.88,;48.05,-48.65,;48.05,-50.2,;49.39,-47.89,;49.39,-46.35,;50.72,-48.66,;52.05,-47.9,;52.06,-46.36,;53.4,-45.6,;53.4,-44.06,;54.74,-43.29,;54.75,-41.75,;53.41,-40.98,;56.09,-40.99,;53.38,-48.68,;54.72,-47.91,;53.38,-50.22,)|
Show InChI InChI=1S/C95H143N35O21/c1-47(2)36-66(78(138)116-46-75(134)119-67(37-48(3)4)84(144)117-49(5)77(137)125-65(90(150)151)28-17-35-112-95(106)107)126-80(140)61(25-14-32-109-92(100)101)122-89(149)72(42-74(97)133)130-83(143)64(29-30-76(135)136)124-79(139)60(24-13-31-108-91(98)99)120-86(146)69(39-52-44-114-58-22-11-8-19-55(52)58)127-81(141)62(26-15-33-110-93(102)103)123-88(148)71(41-73(96)132)129-82(142)63(27-16-34-111-94(104)105)121-87(147)70(40-53-45-115-59-23-12-9-20-56(53)59)128-85(145)68(118-50(6)131)38-51-43-113-57-21-10-7-18-54(51)57/h7-12,18-23,43-45,47-49,60-72,113-115H,13-17,24-42,46H2,1-6H3,(H2,96,132)(H2,97,133)(H,116,138)(H,117,144)(H,118,131)(H,119,134)(H,120,146)(H,121,147)(H,122,149)(H,123,148)(H,124,139)(H,125,137)(H,126,140)(H,127,141)(H,128,145)(H,129,142)(H,130,143)(H,135,136)(H,150,151)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t49-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.86n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50389002
PNG
(CHEMBL2064017)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:107.123,89.91,122.129,67.76,42.49,29.33,12.16,4.4,133.138,wD:93.107,78.87,53.65,37.37,20.25,128.134,(51.04,2.49,;51.04,.95,;52.38,.19,;49.71,.18,;49.71,-1.36,;48.38,-2.14,;47.04,-1.38,;47.04,.17,;45.72,-2.15,;44.38,-1.37,;43.04,-2.16,;43.05,-3.68,;41.71,-1.38,;41.71,.15,;43.04,.92,;43.04,2.46,;44.37,.15,;40.38,-2.15,;39.04,-1.39,;39.04,.15,;37.71,-2.16,;37.71,-3.7,;39.05,-4.47,;39.05,-6.01,;40.39,-6.77,;40.39,-8.31,;36.37,-1.39,;35.04,-2.17,;35.05,-3.71,;33.71,-1.41,;33.71,.14,;35.03,.91,;36.37,.15,;35.03,2.45,;32.37,-2.18,;31.04,-1.41,;31.03,.13,;29.71,-2.18,;29.71,-3.72,;28.37,-1.41,;27.05,-2.19,;27.05,-3.73,;25.71,-1.42,;25.71,.11,;27.03,.88,;27.03,2.43,;28.36,3.21,;28.36,4.75,;27.02,5.51,;29.69,5.52,;24.38,-2.19,;23.04,-1.43,;23.04,.12,;21.71,-2.2,;21.71,-3.74,;23.05,-4.51,;24.45,-3.87,;25.49,-5.02,;24.72,-6.35,;25.2,-7.82,;24.18,-8.97,;22.67,-8.65,;22.19,-7.19,;23.22,-6.04,;20.38,-1.43,;19.05,-2.21,;19.05,-3.75,;17.71,-1.44,;17.71,.1,;19.04,.87,;19.03,2.4,;20.36,3.17,;20.36,4.72,;19.02,5.49,;21.69,5.49,;16.38,-2.21,;15.04,-1.45,;15.04,.09,;13.71,-2.22,;13.72,-3.76,;15.05,-4.53,;15.05,-6.07,;16.39,-6.83,;16.39,-8.37,;15.06,-9.14,;17.73,-9.14,;12.37,-1.45,;11.04,-2.23,;11.04,-3.76,;9.7,-1.45,;8.38,-2.23,;7.04,-1.46,;7.04,.07,;5.71,-2.24,;5.71,-3.78,;7.05,-4.54,;8.45,-3.92,;9.49,-5.06,;8.72,-6.39,;9.2,-7.86,;8.17,-9.01,;6.67,-8.69,;6.19,-7.22,;7.21,-6.08,;4.38,-1.47,;3.05,-2.25,;3.05,-3.79,;1.71,-1.48,;1.7,.07,;3.03,.84,;4.44,.21,;5.47,1.36,;4.7,2.69,;5.17,4.16,;4.13,5.3,;2.63,4.97,;2.15,3.51,;3.2,2.37,;.39,-2.25,;-.94,-1.49,;-2.27,-2.26,;-.95,.05,;9.7,.08,;8.36,.85,;11.04,.85,;51.04,-2.13,;51.05,-3.67,;52.38,-1.36,;53.72,-2.12,;53.72,-3.67,;55.04,-1.35,;55.04,.19,;56.38,-2.11,;57.71,-1.34,;57.7,.19,;59.04,.97,;59.04,2.51,;60.36,3.28,;60.36,4.82,;59.03,5.59,;61.7,5.6,;59.05,-2.11,;60.38,-1.33,;59.05,-3.65,)|
Show InChI InChI=1S/C93H141N31O20/c1-47(2)37-67(78(132)110-46-73(127)114-68(38-48(3)4)83(137)112-49(5)76(130)119-66(89(143)144)31-20-36-106-93(101)102)121-81(135)62(27-15-16-32-94)116-86(140)72(42-74(128)129)120-77(131)50(6)111-79(133)63(28-17-33-103-90(95)96)117-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)122-82(136)64(29-18-34-104-91(97)98)115-80(134)65(30-19-35-105-92(99)100)118-88(142)75(51(7)125)124-87(141)71(41-55-45-109-61-26-14-11-23-58(55)61)123-84(138)69(113-52(8)126)39-53-43-107-59-24-12-9-21-56(53)59/h9-14,21-26,43-45,47-51,62-72,75,107-109,125H,15-20,27-42,46,94H2,1-8H3,(H,110,132)(H,111,133)(H,112,137)(H,113,126)(H,114,127)(H,115,134)(H,116,140)(H,117,139)(H,118,142)(H,119,130)(H,120,131)(H,121,135)(H,122,136)(H,123,138)(H,124,141)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t49-,50-,51+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.57n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50389005
PNG
(CHEMBL2064014)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:106.122,88.90,121.128,66.75,41.48,29.33,12.16,4.4,135.140,wD:92.106,77.86,52.64,37.37,124.131,20.25,130.136,(47.41,2.03,;47.43,.49,;48.77,-.28,;46.1,-.29,;46.11,-1.83,;44.78,-2.61,;43.45,-1.85,;43.44,-.31,;42.12,-2.62,;40.77,-1.87,;39.45,-2.65,;39.46,-4.18,;38.11,-1.88,;38.1,-.35,;39.43,.44,;39.42,1.98,;40.77,-.33,;36.79,-2.66,;35.44,-1.9,;35.43,-.36,;34.11,-2.67,;34.12,-4.22,;35.46,-4.98,;35.47,-6.52,;36.81,-7.28,;36.82,-8.82,;32.78,-1.92,;31.45,-2.7,;31.46,-4.24,;30.11,-1.94,;30.1,-.4,;31.43,.38,;32.77,-.38,;31.42,1.92,;28.79,-2.71,;27.44,-1.95,;27.43,-.41,;26.11,-2.73,;24.77,-1.98,;23.45,-2.75,;23.46,-4.29,;22.11,-1.99,;22.1,-.46,;23.43,.33,;23.42,1.87,;24.74,2.65,;24.73,4.18,;23.4,4.95,;26.06,4.97,;20.79,-2.77,;19.44,-2,;19.43,-.47,;18.11,-2.78,;18.12,-4.33,;19.47,-5.09,;20.86,-4.45,;21.91,-5.59,;21.14,-6.93,;21.63,-8.39,;20.61,-9.54,;19.1,-9.23,;18.61,-7.76,;19.63,-6.62,;16.77,-2.03,;15.44,-2.8,;15.46,-4.34,;14.11,-2.04,;14.1,-.51,;15.43,.28,;15.41,1.81,;16.74,2.59,;16.73,4.13,;15.4,4.89,;18.06,4.92,;12.79,-2.82,;11.44,-2.06,;11.43,-.52,;10.11,-2.84,;10.12,-4.38,;11.47,-5.15,;11.47,-6.68,;12.81,-7.44,;12.83,-8.98,;11.5,-9.76,;14.15,-9.75,;8.77,-2.08,;7.45,-2.85,;7.46,-4.4,;6.11,-2.1,;4.78,-2.88,;3.44,-2.11,;3.43,-.58,;2.12,-2.89,;2.13,-4.43,;3.46,-5.2,;4.86,-4.56,;5.9,-5.7,;5.15,-7.03,;5.63,-8.49,;4.61,-9.65,;3.09,-9.34,;2.61,-7.87,;3.64,-6.73,;.77,-2.13,;-.56,-2.91,;-.54,-4.45,;-1.89,-2.15,;-1.9,-.62,;-.57,.17,;.84,-.45,;1.86,.7,;1.08,2.03,;1.54,3.5,;.51,4.64,;-.99,4.3,;-1.47,2.84,;-.42,1.7,;-3.22,-2.93,;-4.55,-2.17,;-5.87,-2.94,;-4.56,-.63,;6.1,-.57,;4.75,.21,;7.42,.22,;26.12,-4.27,;24.79,-5.05,;27.46,-5.04,;47.44,-2.59,;47.46,-4.13,;48.77,-1.81,;50.12,-2.57,;50.13,-4.11,;51.45,-1.79,;51.44,-.25,;52.79,-2.55,;54.12,-1.78,;54.1,-.24,;55.43,.54,;55.42,2.09,;56.74,2.87,;56.73,4.4,;55.4,5.17,;58.06,5.18,;55.44,-2.54,;56.77,-1.76,;55.46,-4.07,)|
Show InChI InChI=1S/C94H143N31O21/c1-47(2)37-67(78(133)111-46-73(129)114-68(38-48(3)4)83(138)112-49(5)77(132)119-66(90(145)146)31-20-36-107-94(102)103)120-80(135)62(27-15-16-32-95)116-86(141)72(42-74(130)131)123-89(144)76(51(7)127)124-82(137)65(30-19-35-106-93(100)101)117-85(140)70(40-54-44-109-60-25-13-10-22-57(54)60)121-81(136)63(28-17-33-104-91(96)97)115-79(134)64(29-18-34-105-92(98)99)118-88(143)75(50(6)126)125-87(142)71(41-55-45-110-61-26-14-11-23-58(55)61)122-84(139)69(113-52(8)128)39-53-43-108-59-24-12-9-21-56(53)59/h9-14,21-26,43-45,47-51,62-72,75-76,108-110,126-127H,15-20,27-42,46,95H2,1-8H3,(H,111,133)(H,112,138)(H,113,128)(H,114,129)(H,115,134)(H,116,141)(H,117,140)(H,118,143)(H,119,132)(H,120,135)(H,121,136)(H,122,139)(H,123,144)(H,124,137)(H,125,142)(H,130,131)(H,145,146)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)(H4,102,103,107)/t49-,50+,51+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-,76-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50389000
PNG
(CHEMBL2064015)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:107.123,89.91,122.129,67.76,42.49,29.34,12.16,4.4,136.141,wD:93.107,78.87,53.65,38.38,125.132,20.25,131.137,(45.2,-15.66,;45.17,-17.2,;46.5,-17.99,;43.83,-17.95,;43.8,-19.49,;42.46,-20.24,;41.14,-19.45,;41.16,-17.91,;39.79,-20.2,;38.47,-19.4,;37.13,-20.16,;37.1,-21.7,;35.8,-19.37,;35.83,-17.82,;37.17,-17.07,;37.2,-15.54,;38.5,-17.87,;34.46,-20.12,;33.14,-19.32,;33.16,-17.79,;31.79,-20.07,;31.77,-21.61,;33.09,-22.4,;33.07,-23.95,;34.39,-24.73,;34.36,-26.28,;30.47,-19.28,;29.13,-20.03,;29.11,-21.57,;27.81,-19.24,;27.83,-17.7,;29.18,-16.95,;29.2,-15.41,;27.88,-14.62,;30.54,-14.66,;26.47,-19.99,;25.14,-19.2,;25.16,-17.66,;23.79,-19.95,;22.48,-19.15,;21.13,-19.91,;21.11,-21.45,;19.81,-19.12,;19.83,-17.58,;21.18,-16.82,;21.2,-15.29,;22.55,-14.54,;22.57,-13,;21.25,-12.21,;23.92,-12.25,;18.46,-19.87,;17.14,-19.07,;17.16,-17.53,;15.79,-19.82,;15.77,-21.36,;17.1,-22.15,;18.51,-21.55,;19.52,-22.7,;18.73,-24.03,;19.18,-25.5,;18.13,-26.63,;16.63,-26.28,;16.18,-24.81,;17.23,-23.69,;14.47,-19.03,;13.13,-19.78,;13.11,-21.32,;11.81,-18.99,;11.83,-17.45,;13.18,-16.7,;13.2,-15.16,;14.55,-14.41,;14.57,-12.88,;13.25,-12.08,;15.92,-12.12,;10.46,-19.74,;9.14,-18.95,;9.16,-17.4,;7.79,-19.7,;7.77,-21.23,;9.09,-22.03,;9.07,-23.56,;10.39,-24.35,;10.37,-25.9,;9.02,-26.65,;11.69,-26.68,;6.47,-18.9,;5.13,-19.65,;5.11,-21.2,;3.81,-18.87,;2.46,-19.62,;1.15,-18.82,;1.17,-17.29,;-.2,-19.57,;-.23,-21.11,;1.09,-21.9,;2.51,-21.29,;3.52,-22.45,;2.73,-23.78,;3.18,-25.25,;2.13,-26.37,;.63,-26.03,;.18,-24.56,;1.23,-23.44,;-1.53,-18.78,;-2.87,-19.52,;-2.89,-21.07,;-4.19,-18.74,;-4.17,-17.2,;-2.82,-16.45,;-1.43,-17.1,;-.37,-15.97,;-1.12,-14.63,;-.63,-13.17,;-1.64,-12.01,;-3.15,-12.3,;-3.65,-13.76,;-2.63,-14.92,;-5.54,-19.49,;-6.87,-18.72,;-8.2,-19.5,;-6.88,-17.18,;3.83,-17.32,;2.51,-16.53,;5.18,-16.57,;23.77,-21.48,;22.42,-22.24,;25.09,-22.28,;45.12,-20.28,;45.1,-21.82,;46.47,-19.53,;47.79,-20.32,;47.77,-21.87,;49.14,-19.57,;49.16,-18.04,;50.46,-20.37,;51.8,-19.62,;51.83,-18.08,;53.17,-17.32,;53.2,-15.79,;54.54,-15.04,;54.57,-13.5,;53.25,-12.71,;55.91,-12.75,;53.12,-20.41,;54.47,-19.66,;53.1,-21.95,)|
Show InChI InChI=1S/C95H145N31O21/c1-48(2)39-69(79(134)112-47-74(130)115-70(40-49(3)4)85(140)113-50(5)78(133)121-68(91(146)147)31-20-38-108-95(103)104)122-81(136)63(27-15-16-34-96)116-83(138)67(32-33-75(131)132)120-90(145)76(51(6)127)125-84(139)66(30-19-37-107-94(101)102)118-87(142)72(42-55-45-110-61-25-13-10-22-58(55)61)123-82(137)64(28-17-35-105-92(97)98)117-80(135)65(29-18-36-106-93(99)100)119-89(144)77(52(7)128)126-88(143)73(43-56-46-111-62-26-14-11-23-59(56)62)124-86(141)71(114-53(8)129)41-54-44-109-60-24-12-9-21-57(54)60/h9-14,21-26,44-46,48-52,63-73,76-77,109-111,127-128H,15-20,27-43,47,96H2,1-8H3,(H,112,134)(H,113,140)(H,114,129)(H,115,130)(H,116,138)(H,117,135)(H,118,142)(H,119,144)(H,120,145)(H,121,133)(H,122,136)(H,123,137)(H,124,141)(H,125,139)(H,126,143)(H,131,132)(H,146,147)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)(H4,103,104,108)/t50-,51+,52+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,76-,77-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.76n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50389001
PNG
(CHEMBL2064016)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:106.122,88.90,121.128,66.75,41.48,29.33,12.16,4.4,132.137,wD:92.106,77.86,52.64,20.25,127.133,(46.53,-33.52,;46.54,-35.05,;47.87,-35.82,;45.2,-35.82,;45.2,-37.36,;43.87,-38.13,;42.54,-37.36,;42.54,-35.82,;41.21,-38.14,;39.87,-37.37,;38.53,-38.13,;38.54,-39.67,;37.2,-37.37,;37.2,-35.83,;38.54,-35.05,;38.54,-33.51,;39.87,-35.83,;35.87,-38.13,;34.54,-37.36,;34.53,-35.83,;33.2,-38.13,;33.2,-39.67,;34.53,-40.44,;34.54,-41.98,;35.87,-42.75,;35.87,-44.29,;31.87,-37.36,;30.54,-38.13,;30.54,-39.67,;29.2,-37.37,;29.2,-35.84,;30.53,-35.05,;31.86,-35.83,;30.53,-33.53,;27.87,-38.13,;26.53,-37.36,;26.53,-35.82,;25.2,-38.14,;23.87,-37.36,;22.54,-38.14,;22.54,-39.68,;21.2,-37.37,;21.2,-35.83,;22.53,-35.05,;22.53,-33.52,;23.86,-32.75,;23.86,-31.21,;22.53,-30.44,;25.2,-30.43,;19.87,-38.14,;18.54,-37.37,;18.54,-35.83,;17.2,-38.14,;17.2,-39.68,;18.54,-40.45,;19.94,-39.82,;20.97,-40.96,;20.21,-42.3,;20.68,-43.76,;19.65,-44.91,;18.15,-44.59,;17.67,-43.12,;18.7,-41.98,;15.87,-37.37,;14.54,-38.14,;14.54,-39.68,;13.21,-37.37,;13.21,-35.83,;14.53,-35.06,;14.53,-33.52,;15.87,-32.75,;15.86,-31.21,;14.53,-30.44,;17.2,-30.44,;11.87,-38.14,;10.53,-37.37,;10.53,-35.83,;9.2,-38.15,;9.2,-39.68,;10.54,-40.45,;10.54,-41.99,;11.87,-42.76,;11.87,-44.3,;10.54,-45.07,;13.2,-45.07,;7.87,-37.37,;6.53,-38.14,;6.53,-39.68,;5.2,-37.37,;3.87,-38.14,;2.54,-37.37,;2.54,-35.83,;1.2,-38.15,;1.21,-39.69,;2.54,-40.45,;3.94,-39.83,;4.97,-40.97,;4.2,-42.3,;4.68,-43.77,;3.65,-44.91,;2.15,-44.6,;1.67,-43.13,;2.69,-41.98,;-.13,-37.37,;-1.47,-38.15,;-1.47,-39.69,;-2.8,-37.38,;-2.8,-35.84,;-1.47,-35.06,;-.06,-35.7,;.97,-34.55,;.2,-33.21,;.67,-31.75,;-.36,-30.61,;-1.86,-30.93,;-2.34,-32.39,;-1.31,-33.54,;-4.13,-38.14,;-5.46,-37.38,;-6.78,-38.15,;-5.46,-35.84,;5.2,-35.84,;3.87,-35.06,;6.54,-35.06,;46.53,-38.13,;46.53,-39.67,;47.87,-37.36,;49.21,-38.13,;49.2,-39.67,;50.54,-37.35,;50.53,-35.83,;51.87,-38.13,;53.21,-37.35,;53.21,-35.82,;54.53,-35.05,;54.53,-33.51,;55.87,-32.74,;55.87,-31.19,;54.53,-30.43,;57.2,-30.43,;54.54,-38.14,;55.87,-37.36,;54.53,-39.66,)|
Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(78(132)110-46-72(126)113-67(37-48(3)4)82(136)111-49(5)76(130)119-65(88(142)143)30-19-35-105-92(100)101)120-80(134)62(26-14-15-31-93)117-85(139)71(41-74(128)129)114-73(127)45-109-77(131)61(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)121-81(135)63(28-17-33-103-90(96)97)116-79(133)64(29-18-34-104-91(98)99)118-87(141)75(50(6)124)123-86(140)70(40-54-44-108-60-25-13-10-22-57(54)60)122-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-71,75,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,127)(H,115,138)(H,116,133)(H,117,139)(H,118,141)(H,119,130)(H,120,134)(H,121,135)(H,122,137)(H,123,140)(H,128,129)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.12n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008422
PNG
(CHEMBL3235552)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(cc2s1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O2S/c1-24-13-5-3-2-4-10(13)8-15(23)22-16-21-12-7-6-11(17(18,19)20)9-14(12)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50388998
PNG
(CHEMBL2064012)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:99.114,63.69,40.47,29.31,12.16,4.4,122.126,wD:85.98,72.78,51.60,35.35,20.25,117.122,(47,-28.76,;47,-30.3,;48.34,-31.08,;45.67,-31.07,;45.66,-32.61,;44.33,-33.38,;43.01,-32.61,;43,-31.07,;41.67,-33.37,;40.33,-32.61,;39,-33.38,;39,-34.91,;37.66,-32.6,;37.67,-31.07,;39,-30.29,;39.01,-28.75,;40.34,-31.07,;36.34,-33.37,;35,-32.6,;35,-31.06,;33.66,-33.36,;33.66,-34.91,;34.99,-35.68,;34.99,-37.22,;36.33,-37.99,;36.32,-39.53,;32.34,-32.6,;31,-33.37,;31,-34.91,;29.67,-32.6,;29.67,-31.06,;31.01,-30.28,;28.33,-33.37,;27,-32.59,;26.99,-31.06,;25.66,-33.36,;25.66,-34.9,;24.33,-32.6,;22.99,-33.36,;22.99,-34.9,;21.67,-32.59,;21.67,-31.06,;23,-30.28,;23.01,-28.74,;24.33,-27.97,;24.33,-26.44,;23.01,-25.66,;25.67,-25.66,;20.33,-33.36,;19,-32.58,;18.99,-31.05,;17.66,-33.35,;17.66,-34.89,;19,-35.67,;20.33,-34.89,;21.66,-35.67,;21.67,-37.21,;22.99,-37.98,;20.33,-37.97,;18.99,-37.21,;16.33,-32.58,;14.99,-33.35,;14.99,-34.9,;13.66,-32.59,;13.66,-31.04,;15,-30.27,;15,-28.74,;16.33,-27.97,;16.33,-26.42,;12.33,-33.35,;10.99,-32.58,;10.99,-31.04,;9.66,-33.35,;9.66,-34.88,;11,-35.66,;10.99,-37.2,;12.33,-37.97,;12.33,-39.51,;8.33,-32.58,;6.99,-33.34,;6.99,-34.88,;5.66,-32.58,;4.32,-33.34,;2.99,-32.57,;2.99,-31.03,;1.67,-33.34,;1.66,-34.88,;2.99,-35.65,;4.39,-35.03,;5.43,-36.17,;4.66,-37.5,;5.13,-38.97,;4.1,-40.12,;2.59,-39.8,;2.12,-38.33,;3.16,-37.19,;.33,-32.57,;-1.01,-33.34,;-1.01,-34.87,;-2.34,-32.57,;-2.34,-31.03,;-1.01,-30.26,;.4,-30.89,;1.43,-29.75,;.66,-28.41,;1.14,-26.94,;.11,-25.8,;-1.39,-26.12,;-1.88,-27.58,;-.84,-28.73,;-3.68,-33.33,;-5.01,-32.57,;-6.33,-33.34,;-5.01,-31.04,;47,-33.38,;46.99,-34.92,;48.33,-32.61,;49.67,-33.38,;49.67,-34.92,;51,-32.62,;51.01,-31.07,;52.34,-33.38,;53.67,-32.62,;53.67,-31.08,;55,-30.31,;55,-28.77,;56.34,-28,;56.34,-26.46,;55.01,-25.69,;57.67,-25.69,;55,-33.39,;56.33,-32.62,;55,-34.92,)|
Show InChI InChI=1S/C88H136N26O19/c1-48(2)38-66(76(122)100-46-73(119)106-67(39-49(3)4)82(128)103-50(5)74(120)110-65(86(132)133)28-19-37-97-88(94)95)111-80(126)63(26-14-17-35-91)109-85(131)71(47-115)114-75(121)51(6)102-78(124)64(27-18-36-96-87(92)93)108-83(129)68(40-53-29-31-56(117)32-30-53)112-81(127)62(25-13-16-34-90)107-79(125)61(24-12-15-33-89)105-72(118)45-101-77(123)69(41-54-43-98-59-22-10-8-20-57(54)59)113-84(130)70(104-52(7)116)42-55-44-99-60-23-11-9-21-58(55)60/h8-11,20-23,29-32,43-44,48-51,61-71,98-99,115,117H,12-19,24-28,33-42,45-47,89-91H2,1-7H3,(H,100,122)(H,101,123)(H,102,124)(H,103,128)(H,104,116)(H,105,118)(H,106,119)(H,107,125)(H,108,129)(H,109,131)(H,110,120)(H,111,126)(H,112,127)(H,113,130)(H,114,121)(H,132,133)(H4,92,93,96)(H4,94,95,97)/t50-,51-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11.0n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50389004
PNG
(CHEMBL2064021)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:105.109,87.89,117.124,65.74,40.47,29.31,12.16,4.4,128.133,wD:91.105,76.85,51.63,35.35,20.25,123.129,(43.63,-17.18,;43.63,-18.73,;44.96,-19.49,;42.29,-19.5,;42.29,-21.03,;40.96,-21.8,;39.62,-21.03,;39.62,-19.49,;38.29,-21.8,;36.96,-21.02,;35.62,-21.8,;35.62,-23.34,;34.28,-21.02,;34.29,-19.48,;35.63,-18.71,;35.63,-17.18,;36.96,-19.49,;32.96,-21.8,;31.62,-21.02,;31.62,-19.48,;30.28,-21.79,;30.29,-23.32,;31.61,-24.1,;31.61,-25.64,;32.95,-26.41,;32.94,-27.95,;28.95,-21.02,;27.62,-21.79,;27.62,-23.33,;26.29,-21.01,;26.29,-19.48,;27.62,-18.71,;24.96,-21.78,;23.62,-21.01,;23.63,-19.47,;22.28,-21.79,;22.29,-23.32,;20.95,-21.02,;19.62,-21.79,;19.62,-23.33,;18.29,-21.03,;18.28,-19.48,;19.62,-18.71,;19.61,-17.17,;20.94,-16.4,;20.94,-14.86,;19.61,-14.09,;22.27,-14.08,;16.96,-21.8,;15.62,-21.03,;15.62,-19.49,;14.29,-21.8,;14.29,-23.34,;15.63,-24.11,;17.04,-23.48,;18.07,-24.62,;17.29,-25.96,;17.78,-27.42,;16.75,-28.57,;15.24,-28.25,;14.76,-26.79,;15.79,-25.64,;12.95,-21.04,;11.62,-21.81,;11.62,-23.35,;10.29,-21.04,;10.28,-19.51,;11.61,-18.73,;11.61,-17.19,;12.94,-16.41,;12.94,-14.88,;11.61,-14.11,;14.27,-14.1,;8.95,-21.82,;7.62,-21.05,;7.62,-19.51,;6.29,-21.83,;6.29,-23.36,;7.62,-24.13,;7.63,-25.67,;8.96,-26.43,;8.97,-27.97,;7.64,-28.75,;10.3,-28.74,;4.95,-21.05,;3.62,-21.83,;3.62,-23.37,;2.28,-21.06,;.95,-21.84,;-.38,-21.07,;-.39,-19.53,;-1.71,-21.84,;-1.71,-23.38,;-.38,-24.15,;1.03,-23.52,;2.06,-24.66,;1.3,-26,;1.77,-27.45,;.75,-28.6,;-.76,-28.29,;-1.24,-26.82,;-.21,-25.68,;-3.05,-21.07,;-4.38,-21.84,;-4.38,-23.39,;-5.72,-21.08,;-7.05,-21.85,;-5.72,-19.54,;-4.39,-18.77,;-2.98,-19.39,;-1.95,-18.24,;-2.73,-16.91,;-2.25,-15.45,;-3.29,-14.3,;-4.79,-14.63,;-5.27,-16.09,;-4.23,-17.23,;2.28,-19.52,;.95,-18.76,;3.61,-18.75,;43.62,-21.81,;43.62,-23.34,;44.96,-21.04,;46.29,-21.81,;46.29,-23.35,;47.62,-21.04,;47.62,-19.5,;48.95,-21.81,;50.29,-21.04,;50.3,-19.5,;51.62,-18.73,;51.62,-17.2,;52.96,-16.42,;52.96,-14.88,;51.63,-14.1,;54.3,-14.11,;51.63,-21.81,;52.95,-21.04,;51.62,-23.36,)|
Show InChI InChI=1S/C90H139N31O18/c1-46(2)36-66(76(128)108-44-71(124)111-67(37-47(3)4)81(133)110-48(5)73(125)116-65(86(138)139)30-19-35-104-90(99)100)118-79(131)61(26-14-15-31-91)114-84(136)70(45-122)120-74(126)49(6)109-77(129)62(27-16-32-101-87(93)94)113-82(134)68(39-52-42-106-59-24-12-9-21-55(52)59)119-80(132)63(28-17-33-102-88(95)96)112-78(130)64(29-18-34-103-89(97)98)115-85(137)72(50(7)123)121-83(135)69(40-53-43-107-60-25-13-10-22-56(53)60)117-75(127)57(92)38-51-41-105-58-23-11-8-20-54(51)58/h8-13,20-25,41-43,46-50,57,61-70,72,105-107,122-123H,14-19,26-40,44-45,91-92H2,1-7H3,(H,108,128)(H,109,129)(H,110,133)(H,111,124)(H,112,130)(H,113,134)(H,114,136)(H,115,137)(H,116,125)(H,117,127)(H,118,131)(H,119,132)(H,120,126)(H,121,135)(H,138,139)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t48-,49-,50+,57-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,72-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.3n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008512
PNG
(CHEMBL3235572)
Show SMILES COc1cc(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O4S/c1-26-13-6-10(7-14(27-2)17(13)28-3)8-16(25)24-18-23-12-5-4-11(19(20,21)22)9-15(12)29-18/h4-7,9H,8H2,1-3H3,(H,23,24,25)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50389003
PNG
(CHEMBL2064018)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:109.125,87.93,65.74,40.47,29.31,12.16,4.4,132.137,wD:95.109,76.85,51.63,35.35,20.25,127.133,(46.4,-15.18,;46.39,-16.72,;47.73,-17.49,;45.05,-17.49,;45.05,-19.03,;43.72,-19.8,;42.38,-19.02,;42.39,-17.48,;41.05,-19.8,;39.72,-19.02,;38.38,-19.78,;38.38,-21.32,;37.05,-19.01,;37.05,-17.48,;38.39,-16.7,;38.39,-15.16,;39.72,-17.48,;35.71,-19.78,;34.38,-19.01,;34.38,-17.47,;33.04,-19.77,;33.04,-21.31,;34.37,-22.09,;34.37,-23.63,;35.7,-24.4,;35.7,-25.94,;31.71,-19,;30.38,-19.77,;30.37,-21.31,;29.04,-18.99,;29.05,-17.46,;30.38,-16.69,;27.7,-19.77,;26.37,-18.99,;26.38,-17.45,;25.04,-19.76,;25.03,-21.3,;23.71,-18.99,;22.37,-19.75,;22.37,-21.29,;21.04,-18.98,;21.04,-17.44,;22.38,-16.67,;22.38,-15.13,;23.71,-14.37,;23.72,-12.82,;22.38,-12.05,;25.06,-12.05,;19.71,-19.75,;18.38,-18.97,;18.38,-17.43,;17.03,-19.74,;17.03,-21.28,;18.36,-22.05,;19.77,-21.43,;20.8,-22.58,;20.03,-23.91,;20.5,-25.38,;19.47,-26.52,;17.96,-26.19,;17.49,-24.73,;18.52,-23.59,;15.7,-18.97,;14.37,-19.73,;14.37,-21.28,;13.04,-18.96,;13.04,-17.43,;14.37,-16.65,;14.38,-15.11,;15.71,-14.35,;15.71,-12.81,;14.38,-12.03,;17.05,-12.04,;11.7,-19.73,;10.36,-18.96,;10.37,-17.41,;9.03,-19.72,;9.03,-21.26,;10.36,-22.04,;10.36,-23.58,;11.69,-24.35,;11.69,-25.89,;10.35,-26.66,;13.02,-26.66,;7.7,-18.95,;6.36,-19.72,;6.36,-21.26,;5.03,-18.94,;5.03,-17.4,;6.37,-16.64,;7.7,-17.42,;6.37,-15.1,;3.7,-19.72,;2.36,-18.94,;2.37,-17.4,;1.04,-19.7,;1.03,-21.24,;2.37,-22.02,;3.77,-21.4,;4.79,-22.55,;4.02,-23.88,;4.49,-25.34,;3.46,-26.48,;1.97,-26.16,;1.47,-24.69,;2.52,-23.56,;-.3,-18.93,;-1.64,-19.7,;-1.64,-21.24,;-2.97,-18.93,;-2.96,-17.38,;-1.64,-16.62,;-.24,-17.25,;.8,-16.1,;.03,-14.77,;.52,-13.3,;-.51,-12.16,;-2.02,-12.48,;-2.5,-13.94,;-1.48,-15.08,;-4.3,-19.7,;-5.63,-18.93,;-6.96,-19.71,;-5.63,-17.4,;46.38,-19.8,;46.38,-21.34,;47.72,-19.04,;49.06,-19.81,;49.05,-21.35,;50.39,-19.04,;50.39,-17.5,;51.72,-19.81,;53.06,-19.05,;53.06,-17.51,;54.4,-16.74,;54.4,-15.2,;55.73,-14.43,;55.74,-12.89,;54.4,-12.12,;57.08,-12.13,;54.39,-19.82,;55.73,-19.05,;54.38,-21.36,)|
Show InChI InChI=1S/C92H139N31O20/c1-47(2)36-66(77(131)109-45-73(126)113-67(37-48(3)4)82(136)111-49(5)75(129)118-65(88(142)143)30-19-35-105-92(100)101)119-80(134)61(26-14-15-31-93)117-87(141)72(46-124)123-76(130)50(6)110-78(132)62(27-16-32-102-89(94)95)115-84(138)69(39-53-43-107-59-24-12-9-21-56(53)59)120-81(135)64(29-18-34-104-91(98)99)114-79(133)63(28-17-33-103-90(96)97)116-86(140)71(41-74(127)128)122-85(139)70(40-54-44-108-60-25-13-10-22-57(54)60)121-83(137)68(112-51(7)125)38-52-42-106-58-23-11-8-20-55(52)58/h8-13,20-25,42-44,47-50,61-72,106-108,124H,14-19,26-41,45-46,93H2,1-7H3,(H,109,131)(H,110,132)(H,111,136)(H,112,125)(H,113,126)(H,114,133)(H,115,138)(H,116,140)(H,117,141)(H,118,129)(H,119,134)(H,120,135)(H,121,137)(H,122,139)(H,123,130)(H,127,128)(H,142,143)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15.5n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008401
PNG
(CHEMBL3235538)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C16H10ClF3N2OS/c17-11-3-1-2-9(6-11)7-14(23)22-15-21-12-5-4-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50388997
PNG
(CHEMBL2064011)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:103.118,85.86,118.124,63.71,40.47,29.31,12.16,4.4,129.133,wD:89.102,74.82,51.60,35.35,20.25,124.129,(47.73,-15.06,;47.74,-16.6,;49.09,-17.36,;46.42,-17.39,;46.43,-18.92,;45.11,-19.7,;43.77,-18.95,;43.75,-17.4,;42.44,-19.73,;41.1,-18.96,;39.78,-19.75,;39.78,-21.29,;38.43,-18.99,;38.43,-17.45,;39.75,-16.67,;39.74,-15.13,;41.09,-17.43,;37.11,-19.78,;35.77,-19.01,;35.75,-17.48,;34.44,-19.79,;34.46,-21.33,;35.79,-22.09,;35.81,-23.64,;37.15,-24.39,;37.16,-25.93,;33.1,-19.04,;31.78,-19.82,;31.79,-21.36,;30.44,-19.06,;30.43,-17.52,;31.75,-16.74,;29.11,-19.84,;27.77,-19.08,;27.75,-17.54,;26.44,-19.87,;26.46,-21.4,;25.1,-19.1,;23.78,-19.89,;23.79,-21.43,;22.44,-19.13,;22.43,-17.59,;23.75,-16.81,;23.74,-15.27,;25.07,-14.49,;25.05,-12.95,;23.72,-12.19,;26.38,-12.16,;21.11,-19.91,;19.77,-19.15,;19.75,-17.61,;18.44,-19.93,;18.46,-21.47,;19.8,-22.23,;21.12,-21.45,;22.46,-22.2,;22.48,-23.75,;23.82,-24.5,;21.15,-24.53,;19.81,-23.76,;17.1,-19.17,;15.78,-19.95,;15.79,-21.49,;14.44,-19.19,;14.43,-17.66,;15.75,-16.88,;15.74,-15.34,;17.07,-14.55,;17.05,-13.02,;15.72,-12.26,;18.38,-12.23,;13.11,-19.98,;11.77,-19.22,;11.75,-17.68,;10.44,-20,;10.46,-21.54,;11.8,-22.3,;11.81,-23.84,;13.15,-24.59,;13.17,-26.13,;11.84,-26.92,;14.5,-26.89,;9.1,-19.24,;7.78,-20.02,;7.79,-21.57,;6.44,-19.27,;5.11,-20.05,;3.78,-19.29,;3.76,-17.75,;2.45,-20.07,;2.46,-21.6,;3.8,-22.37,;5.2,-21.73,;6.24,-22.86,;5.48,-24.2,;5.97,-25.66,;4.95,-26.81,;3.44,-26.51,;2.95,-25.05,;3.98,-23.9,;1.1,-19.31,;-.22,-20.09,;-.21,-21.63,;-1.56,-19.33,;-1.57,-17.8,;-.25,-17.01,;1.16,-17.63,;2.19,-16.47,;1.41,-15.15,;1.86,-13.68,;.83,-12.54,;-.67,-12.88,;-1.14,-14.34,;-.1,-15.48,;-2.89,-20.11,;-4.22,-19.35,;-5.55,-20.12,;-4.23,-17.81,;6.43,-17.72,;5.08,-16.97,;7.75,-16.94,;47.77,-19.68,;47.78,-21.22,;49.1,-18.9,;50.44,-19.66,;50.45,-21.2,;51.77,-18.87,;51.75,-17.34,;53.1,-19.64,;54.43,-18.86,;54.42,-17.31,;55.74,-16.53,;55.73,-15,;57.06,-14.21,;57.04,-12.67,;55.71,-11.92,;58.37,-11.9,;55.77,-19.61,;57.1,-18.83,;55.78,-21.15,)|
Show InChI InChI=1S/C90H140N30O20/c1-46(2)37-65(75(128)106-44-71(125)110-66(38-47(3)4)80(133)108-48(5)73(126)115-64(86(139)140)27-18-36-103-90(98)99)116-78(131)60(23-13-14-32-91)113-84(137)70(45-121)119-74(127)49(6)107-76(129)61(24-15-33-100-87(92)93)112-81(134)67(39-52-28-30-55(124)31-29-52)117-79(132)62(25-16-34-101-88(94)95)111-77(130)63(26-17-35-102-89(96)97)114-85(138)72(50(7)122)120-83(136)69(41-54-43-105-59-22-12-10-20-57(54)59)118-82(135)68(109-51(8)123)40-53-42-104-58-21-11-9-19-56(53)58/h9-12,19-22,28-31,42-43,46-50,60-70,72,104-105,121-122,124H,13-18,23-27,32-41,44-45,91H2,1-8H3,(H,106,128)(H,107,129)(H,108,133)(H,109,123)(H,110,125)(H,111,130)(H,112,134)(H,113,137)(H,114,138)(H,115,126)(H,116,131)(H,117,132)(H,118,135)(H,119,127)(H,120,136)(H,139,140)(H4,92,93,100)(H4,94,95,101)(H4,96,97,102)(H4,98,99,103)/t48-,49-,50+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,72-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23.4n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50388995
PNG
(CHEMBL2064019)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:110.126,87.94,65.74,40.47,29.31,12.16,4.4,133.138,wD:96.110,76.85,51.63,35.35,20.25,128.134,(43.19,-33.09,;43.2,-34.64,;44.54,-35.39,;41.87,-35.41,;41.88,-36.95,;40.55,-37.72,;39.21,-36.96,;39.2,-35.43,;37.89,-37.74,;36.55,-36.97,;35.21,-37.75,;35.22,-39.29,;33.88,-36.99,;33.87,-35.45,;35.2,-34.67,;35.19,-33.14,;36.54,-35.43,;32.55,-37.77,;31.21,-37,;31.2,-35.46,;29.88,-37.78,;29.89,-39.32,;31.22,-40.08,;31.23,-41.62,;32.57,-42.39,;32.58,-43.93,;28.54,-37.02,;27.21,-37.79,;27.22,-39.33,;25.87,-37.03,;25.87,-35.49,;27.19,-34.71,;24.54,-37.81,;23.2,-37.04,;23.2,-35.51,;21.88,-37.82,;21.88,-39.36,;20.54,-37.06,;19.21,-37.84,;19.22,-39.38,;17.87,-37.08,;17.86,-35.54,;19.19,-34.75,;19.18,-33.22,;20.51,-32.44,;20.5,-30.9,;19.16,-30.14,;21.83,-30.13,;16.55,-37.85,;15.21,-37.09,;15.2,-35.55,;13.87,-37.87,;13.88,-39.41,;15.22,-40.17,;16.62,-39.54,;17.66,-40.67,;16.9,-42.01,;17.38,-43.47,;16.36,-44.63,;14.85,-44.31,;14.36,-42.85,;15.39,-41.7,;12.54,-37.1,;11.21,-37.88,;11.22,-39.42,;9.87,-37.12,;9.86,-35.58,;11.19,-34.8,;11.18,-33.26,;12.51,-32.48,;12.5,-30.94,;11.16,-30.18,;13.84,-30.16,;8.54,-37.89,;7.2,-37.13,;7.19,-35.59,;5.87,-37.91,;5.88,-39.45,;7.22,-40.21,;7.23,-41.75,;8.56,-42.52,;8.57,-44.06,;7.24,-44.83,;9.91,-44.82,;4.53,-37.15,;3.2,-37.92,;3.21,-39.46,;1.86,-37.16,;1.85,-35.62,;3.19,-34.84,;3.18,-33.31,;1.84,-32.54,;4.51,-32.52,;.54,-37.94,;-.8,-37.17,;-.81,-35.63,;-2.13,-37.96,;-2.12,-39.5,;-.78,-40.25,;.62,-39.62,;1.65,-40.76,;.89,-42.1,;1.37,-43.56,;.35,-44.71,;-1.15,-44.4,;-1.64,-42.94,;-.62,-41.79,;-3.46,-37.19,;-4.79,-37.97,;-4.79,-39.51,;-6.14,-37.2,;-6.15,-35.67,;-4.82,-34.88,;-3.41,-35.5,;-2.38,-34.36,;-3.16,-33.02,;-2.69,-31.55,;-3.73,-30.42,;-5.23,-30.75,;-5.7,-32.21,;-4.67,-33.35,;-7.47,-37.98,;-8.8,-37.22,;-10.12,-37.99,;-8.8,-35.68,;43.22,-37.71,;43.22,-39.24,;44.55,-36.94,;45.89,-37.7,;45.89,-39.24,;47.21,-36.92,;47.2,-35.38,;48.55,-37.68,;49.88,-36.91,;49.88,-35.36,;51.2,-34.59,;51.19,-33.05,;52.52,-32.26,;52.51,-30.74,;51.18,-29.97,;53.85,-29.95,;51.22,-37.67,;52.55,-36.89,;51.23,-39.21,)|
Show InChI InChI=1S/C93H141N31O20/c1-48(2)38-68(78(132)110-46-74(127)114-69(39-49(3)4)84(138)112-50(5)76(130)120-67(89(143)144)30-19-37-106-93(101)102)121-81(135)62(26-14-15-33-94)118-88(142)73(47-125)124-77(131)51(6)111-79(133)63(27-16-34-103-90(95)96)117-86(140)71(41-54-44-108-60-24-12-9-21-57(54)60)122-82(136)65(29-18-36-105-92(99)100)115-80(134)64(28-17-35-104-91(97)98)116-83(137)66(31-32-75(128)129)119-87(141)72(42-55-45-109-61-25-13-10-22-58(55)61)123-85(139)70(113-52(7)126)40-53-43-107-59-23-11-8-20-56(53)59/h8-13,20-25,43-45,48-51,62-73,107-109,125H,14-19,26-42,46-47,94H2,1-7H3,(H,110,132)(H,111,133)(H,112,138)(H,113,126)(H,114,127)(H,115,134)(H,116,137)(H,117,140)(H,118,142)(H,119,141)(H,120,130)(H,121,135)(H,122,136)(H,123,139)(H,124,131)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t50-,51-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26.3n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008500
PNG
(CHEMBL3235560)
Show SMILES COc1ccc(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H13F3N2O2S/c1-24-12-5-2-10(3-6-12)8-15(23)22-16-21-13-7-4-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008496
PNG
(CHEMBL3235556)
Show SMILES COc1cccc(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)c1
Show InChI InChI=1S/C17H13F3N2O2S/c1-24-12-4-2-3-10(7-12)8-15(23)22-16-21-13-6-5-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008503
PNG
(CHEMBL3235563)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
Show InChI InChI=1S/C16H11F3N2OS/c17-16(18,19)11-6-7-12-13(9-11)23-15(20-12)21-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50388996
PNG
(CHEMBL2063898)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:105.121,87.89,120.127,65.74,40.47,29.31,12.16,4.4,131.136,wD:91.105,76.85,51.63,35.35,20.25,126.132,(45.71,2.34,;45.71,.8,;47.04,.03,;44.38,.03,;44.37,-1.5,;43.04,-2.28,;41.7,-1.5,;41.71,.04,;40.37,-2.27,;39.04,-1.5,;37.71,-2.27,;37.7,-3.81,;36.37,-1.5,;36.38,.04,;37.71,.81,;37.71,2.35,;39.04,.04,;35.04,-2.27,;33.7,-1.49,;33.7,.04,;32.37,-2.26,;32.37,-3.8,;33.7,-4.57,;33.7,-6.12,;35.03,-6.89,;35.03,-8.43,;31.04,-1.49,;29.7,-2.26,;29.7,-3.8,;28.37,-1.49,;28.37,.05,;29.71,.82,;27.04,-2.26,;25.7,-1.49,;25.71,.06,;24.37,-2.26,;24.37,-3.8,;23.04,-1.49,;21.71,-2.26,;21.71,-3.81,;20.37,-1.5,;20.37,.04,;21.7,.82,;21.7,2.35,;23.03,3.13,;23.02,4.67,;21.69,5.43,;24.36,5.45,;19.04,-2.27,;17.71,-1.5,;17.7,.03,;16.38,-2.28,;16.37,-3.81,;17.71,-4.58,;19.12,-3.95,;20.15,-5.09,;19.38,-6.43,;19.86,-7.89,;18.84,-9.04,;17.32,-8.72,;16.85,-7.26,;17.87,-6.11,;15.03,-1.51,;13.7,-2.28,;13.71,-3.82,;12.37,-1.51,;12.37,.02,;13.7,.8,;13.69,2.34,;15.03,3.11,;15.02,4.65,;13.69,5.42,;16.35,5.42,;11.04,-2.29,;9.7,-1.52,;9.7,.02,;8.37,-2.3,;8.37,-3.83,;9.71,-4.6,;9.72,-6.14,;11.05,-6.9,;11.05,-8.45,;9.72,-9.22,;12.38,-9.21,;7.03,-1.53,;5.7,-2.3,;5.71,-3.84,;4.37,-1.54,;3.04,-2.31,;1.7,-1.54,;1.7,-0,;.37,-2.31,;.38,-3.85,;1.71,-4.62,;3.12,-3.99,;4.15,-5.13,;3.38,-6.47,;3.86,-7.93,;2.83,-9.07,;1.33,-8.76,;.84,-7.3,;1.88,-6.15,;-.97,-1.55,;-2.3,-2.32,;-2.3,-3.86,;-3.63,-1.55,;-3.64,-.02,;-2.31,.76,;-.9,.14,;.13,1.29,;-.64,2.61,;-.17,4.08,;-1.2,5.22,;-2.71,4.9,;-3.18,3.44,;-2.15,2.3,;-4.97,-2.33,;-6.3,-1.56,;-7.63,-2.34,;-6.31,-.02,;4.36,.01,;3.03,.77,;5.7,.78,;45.71,-2.28,;45.71,-3.82,;47.04,-1.51,;48.37,-2.28,;48.37,-3.82,;49.71,-1.51,;49.71,.03,;51.04,-2.29,;52.37,-1.52,;52.38,.02,;53.71,.8,;53.71,2.33,;55.04,3.1,;55.05,4.64,;53.72,5.43,;56.38,5.42,;53.71,-2.29,;55.04,-1.51,;53.7,-3.83,)|
Show InChI InChI=1S/C92H141N31O19/c1-47(2)37-67(77(130)109-45-73(127)113-68(38-48(3)4)82(135)111-49(5)75(128)118-66(88(141)142)31-20-36-105-92(100)101)119-80(133)62(27-15-16-32-93)116-86(139)72(46-124)122-76(129)50(6)110-78(131)63(28-17-33-102-89(94)95)115-84(137)70(40-54-43-107-60-25-13-10-22-57(54)60)120-81(134)64(29-18-34-103-90(96)97)114-79(132)65(30-19-35-104-91(98)99)117-87(140)74(51(7)125)123-85(138)71(41-55-44-108-61-26-14-11-23-58(55)61)121-83(136)69(112-52(8)126)39-53-42-106-59-24-12-9-21-56(53)59/h9-14,21-26,42-44,47-51,62-72,74,106-108,124-125H,15-20,27-41,45-46,93H2,1-8H3,(H,109,130)(H,110,131)(H,111,135)(H,112,126)(H,113,127)(H,114,132)(H,115,137)(H,116,139)(H,117,140)(H,118,128)(H,119,133)(H,120,134)(H,121,136)(H,122,129)(H,123,138)(H,141,142)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t49-,50-,51+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50.1n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008504
PNG
(CHEMBL3235564)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1
Show InChI InChI=1S/C16H9Cl2F3N2OS/c17-10-3-1-8(5-11(10)18)6-14(24)23-15-22-12-4-2-9(16(19,20)21)7-13(12)25-15/h1-5,7H,6H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50389006
PNG
(CHEMBL2064020)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:107.123,87.91,65.74,40.47,29.31,12.16,4.4,130.135,wD:93.107,76.85,51.63,35.35,20.25,125.131,(42.57,1.47,;42.59,-.07,;43.93,-.82,;41.26,-.85,;41.27,-2.4,;39.95,-3.19,;38.61,-2.41,;38.59,-.89,;37.29,-3.2,;35.95,-2.45,;34.62,-3.23,;34.63,-4.77,;33.27,-2.48,;33.26,-.94,;34.59,-.15,;34.57,1.38,;35.93,-.9,;31.95,-3.26,;30.61,-2.5,;30.59,-.97,;29.28,-3.28,;29.3,-4.82,;30.64,-5.58,;30.66,-7.12,;32,-7.88,;32.01,-9.42,;27.94,-2.53,;26.62,-3.32,;26.63,-4.85,;25.28,-2.55,;25.26,-1.02,;26.58,-.24,;23.95,-3.34,;22.6,-2.58,;22.6,-1.05,;21.28,-3.37,;21.3,-4.91,;19.94,-2.61,;18.62,-3.41,;18.63,-4.94,;17.28,-2.64,;17.26,-1.11,;18.58,-.32,;18.57,1.21,;19.89,2,;19.87,3.54,;18.53,4.29,;21.2,4.32,;15.96,-3.43,;14.61,-2.68,;14.6,-1.14,;13.28,-3.46,;13.3,-5,;14.64,-5.75,;16.04,-5.11,;17.08,-6.24,;16.33,-7.58,;16.82,-9.04,;15.8,-10.2,;14.29,-9.9,;13.8,-8.44,;14.82,-7.28,;11.94,-2.7,;10.62,-3.49,;10.64,-5.03,;9.28,-2.73,;9.26,-1.19,;10.58,-.41,;10.57,1.13,;11.89,1.92,;11.87,3.45,;10.53,4.2,;13.2,4.23,;7.95,-3.51,;6.61,-2.76,;6.59,-1.22,;5.28,-3.54,;5.3,-5.08,;6.64,-5.84,;6.66,-7.38,;8,-8.13,;8.01,-9.67,;6.69,-10.45,;9.36,-10.43,;3.94,-2.79,;2.61,-3.57,;2.63,-5.11,;1.27,-2.82,;1.26,-1.27,;2.58,-.49,;-.05,-3.6,;-1.39,-2.84,;-1.41,-1.3,;-2.72,-3.63,;-2.7,-5.17,;-1.36,-5.92,;.04,-5.28,;1.08,-6.42,;.32,-7.76,;.82,-9.22,;-.2,-10.37,;-1.71,-10.07,;-2.2,-8.61,;-1.19,-7.45,;-4.06,-2.87,;-5.39,-3.66,;-5.37,-5.2,;-6.73,-2.9,;-6.74,-1.36,;-5.42,-.57,;-4.01,-1.18,;-2.99,-.03,;-3.77,1.3,;-3.31,2.77,;-4.36,3.9,;-5.85,3.56,;-6.32,2.09,;-5.27,.96,;-8.05,-3.68,;-9.38,-2.92,;-10.71,-3.69,;-9.39,-1.39,;42.61,-3.15,;42.63,-4.69,;43.94,-2.37,;45.29,-3.12,;45.3,-4.66,;46.61,-2.34,;46.59,-.8,;47.95,-3.09,;49.28,-2.31,;49.27,-.77,;50.59,.02,;50.57,1.55,;51.89,2.35,;51.88,3.88,;50.53,4.63,;53.21,4.66,;50.62,-3.07,;51.94,-2.28,;50.63,-4.61,)|
Show InChI InChI=1S/C91H139N31O19/c1-47(2)36-66(76(129)108-44-73(126)112-67(37-48(3)4)81(134)110-49(5)74(127)117-65(87(140)141)30-19-35-104-91(99)100)118-79(132)61(26-14-15-31-92)115-85(138)71(45-123)121-75(128)50(6)109-77(130)62(27-16-32-101-88(93)94)114-83(136)69(39-53-42-106-59-24-12-9-21-56(53)59)119-80(133)64(29-18-34-103-90(97)98)113-78(131)63(28-17-33-102-89(95)96)116-86(139)72(46-124)122-84(137)70(40-54-43-107-60-25-13-10-22-57(54)60)120-82(135)68(111-51(7)125)38-52-41-105-58-23-11-8-20-55(52)58/h8-13,20-25,41-43,47-50,61-72,105-107,123-124H,14-19,26-40,44-46,92H2,1-7H3,(H,108,129)(H,109,130)(H,110,134)(H,111,125)(H,112,126)(H,113,131)(H,114,136)(H,115,138)(H,116,139)(H,117,127)(H,118,132)(H,119,133)(H,120,135)(H,121,128)(H,122,137)(H,140,141)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t49-,50-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63.1n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubat...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008411
PNG
(CHEMBL3235545)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1
Show InChI InChI=1S/C16H10ClF3N2OS/c17-11-4-1-9(2-5-11)7-14(23)22-15-21-12-6-3-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008406
PNG
(CHEMBL3235542)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)Cc3ccccc3Cl)sc2c1
Show InChI InChI=1S/C16H10ClF3N2OS/c17-11-4-2-1-3-9(11)7-14(23)22-15-21-12-6-5-10(16(18,19)20)8-13(12)24-15/h1-6,8H,7H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008509
PNG
(CHEMBL3235569)
Show SMILES COc1cc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc(OC)c1OC
Show InChI InChI=1S/C19H17F3N2O5S/c1-26-13-6-10(7-14(27-2)17(13)28-3)8-16(25)24-18-23-12-5-4-11(9-15(12)30-18)29-19(20,21)22/h4-7,9H,8H2,1-3H3,(H,23,24,25)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008399
PNG
(CHEMBL3235535)
Show SMILES Cc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C16H13ClN2OS/c1-10-5-6-13-14(7-10)21-16(18-13)19-15(20)9-11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008499
PNG
(CHEMBL3235559)
Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)c1
Show InChI InChI=1S/C17H10F6N2OS/c18-16(19,20)10-3-1-2-9(6-10)7-14(26)25-15-24-12-5-4-11(17(21,22)23)8-13(12)27-15/h1-6,8H,7H2,(H,24,25,26)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008508
PNG
(CHEMBL3235568)
Show SMILES COc1ccc(OC)c(CC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)c1
Show InChI InChI=1S/C18H15F3N2O3S/c1-25-12-4-6-14(26-2)10(7-12)8-16(24)23-17-22-13-5-3-11(18(19,20)21)9-15(13)27-17/h3-7,9H,8H2,1-2H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008417
PNG
(CHEMBL3235548)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C16H13BrN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008420
PNG
(CHEMBL3235551)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(C)cc2s1
Show InChI InChI=1S/C17H16N2O2S/c1-11-7-8-13-15(9-11)22-17(18-13)19-16(20)10-12-5-3-4-6-14(12)21-2/h3-9H,10H2,1-2H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008418
PNG
(CHEMBL3235549)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C16H13ClN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM49375
PNG
(MLS000527505 | N-(1,3-benzothiazol-2-yl)-2-phenyl-...)
Show SMILES O=C(Cc1ccccc1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS/c18-14(10-11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,17,18)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008497
PNG
(CHEMBL3235557)
Show SMILES COc1cccc(CC(=O)Nc2nc3ccc(OC)cc3s2)c1
Show InChI InChI=1S/C17H16N2O3S/c1-21-12-5-3-4-11(8-12)9-16(20)19-17-18-14-7-6-13(22-2)10-15(14)23-17/h3-8,10H,9H2,1-2H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008514
PNG
(CHEMBL3235573)
Show SMILES FC(F)(F)c1ccc2nc(NC(=O)CC3CCCCC3)sc2c1
Show InChI InChI=1S/C16H17F3N2OS/c17-16(18,19)11-6-7-12-13(9-11)23-15(20-12)21-14(22)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008515
PNG
(CHEMBL3235574)
Show SMILES CC(C)(C)CC(=O)Nc1nc2ccc(cc2s1)C(F)(F)F
Show InChI InChI=1S/C14H15F3N2OS/c1-13(2,3)7-11(20)19-12-18-9-5-4-8(14(15,16)17)6-10(9)21-12/h4-6H,7H2,1-3H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008402
PNG
(CHEMBL3235539)
Show SMILES COc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C16H13ClN2O2S/c1-21-12-5-6-13-14(9-12)22-16(18-13)19-15(20)8-10-3-2-4-11(17)7-10/h2-7,9H,8H2,1H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008403
PNG
(CHEMBL3235540)
Show SMILES FC(F)(F)Oc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C16H10ClF3N2O2S/c17-10-3-1-2-9(6-10)7-14(23)22-15-21-12-5-4-11(8-13(12)25-15)24-16(18,19)20/h1-6,8H,7H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008501
PNG
(CHEMBL3235561)
Show SMILES COc1ccc(CC(=O)Nc2nc3ccc(OC)cc3s2)cc1
Show InChI InChI=1S/C17H16N2O3S/c1-21-12-5-3-11(4-6-12)9-16(20)19-17-18-14-8-7-13(22-2)10-15(14)23-17/h3-8,10H,9H2,1-2H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008507
PNG
(CHEMBL3235567)
Show SMILES FC(F)(F)Oc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1
Show InChI InChI=1S/C16H9Cl2F3N2O2S/c17-10-3-1-8(5-11(10)18)6-14(24)23-15-22-12-4-2-9(7-13(12)26-15)25-16(19,20)21/h1-5,7H,6H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008425
PNG
(CHEMBL3235554)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
Show InChI InChI=1S/C17H13F3N2O3S/c1-24-13-5-3-2-4-10(13)8-15(23)22-16-21-12-7-6-11(9-14(12)26-16)25-17(18,19)20/h2-7,9H,8H2,1H3,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008412
PNG
(CHEMBL3235546)
Show SMILES COc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1
Show InChI InChI=1S/C16H13ClN2O2S/c1-21-12-6-7-13-14(9-12)22-16(18-13)19-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008362
PNG
(CHEMBL3235183)
Show SMILES Clc1cccc(CC(=O)Nc2nc3ccccc3s2)c1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-5-3-4-10(8-11)9-14(19)18-15-17-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18,19)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008498
PNG
(CHEMBL3235558)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3cccc(OC)c3)sc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-3-23-14-7-8-15-16(11-14)24-18(19-15)20-17(21)10-12-5-4-6-13(9-12)22-2/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 990n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008516
PNG
(IC261)
Show SMILES COc1cc(OC)c(C=C2C(O)=Nc3ccccc23)c(OC)c1 |c:11|
Show InChI InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008502
PNG
(CHEMBL3235562)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3ccc(OC)cc3)sc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-3-23-14-8-9-15-16(11-14)24-18(19-15)20-17(21)10-12-4-6-13(22-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008414
PNG
(CHEMBL3235547)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1
Show InChI InChI=1S/C17H15ClN2O2S/c1-2-22-13-7-8-14-15(10-13)23-17(19-14)20-16(21)9-11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008390
PNG
(CHEMBL3235188)
Show SMILES CC(=O)c1sc(NC(=O)Cc2cccc(Cl)c2)nc1C
Show InChI InChI=1S/C14H13ClN2O2S/c1-8-13(9(2)18)20-14(16-8)17-12(19)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,16,17,19)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008510
PNG
(CHEMBL3235570)
Show SMILES COc1ccc2nc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)sc2c1
Show InChI InChI=1S/C19H20N2O5S/c1-23-12-5-6-13-16(10-12)27-19(20-13)21-17(22)9-11-7-14(24-2)18(26-4)15(8-11)25-3/h5-8,10H,9H2,1-4H3,(H,20,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
C3a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50388995
PNG
(CHEMBL2064019)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:110.126,87.94,65.74,40.47,29.31,12.16,4.4,133.138,wD:96.110,76.85,51.63,35.35,20.25,128.134,(43.19,-33.09,;43.2,-34.64,;44.54,-35.39,;41.87,-35.41,;41.88,-36.95,;40.55,-37.72,;39.21,-36.96,;39.2,-35.43,;37.89,-37.74,;36.55,-36.97,;35.21,-37.75,;35.22,-39.29,;33.88,-36.99,;33.87,-35.45,;35.2,-34.67,;35.19,-33.14,;36.54,-35.43,;32.55,-37.77,;31.21,-37,;31.2,-35.46,;29.88,-37.78,;29.89,-39.32,;31.22,-40.08,;31.23,-41.62,;32.57,-42.39,;32.58,-43.93,;28.54,-37.02,;27.21,-37.79,;27.22,-39.33,;25.87,-37.03,;25.87,-35.49,;27.19,-34.71,;24.54,-37.81,;23.2,-37.04,;23.2,-35.51,;21.88,-37.82,;21.88,-39.36,;20.54,-37.06,;19.21,-37.84,;19.22,-39.38,;17.87,-37.08,;17.86,-35.54,;19.19,-34.75,;19.18,-33.22,;20.51,-32.44,;20.5,-30.9,;19.16,-30.14,;21.83,-30.13,;16.55,-37.85,;15.21,-37.09,;15.2,-35.55,;13.87,-37.87,;13.88,-39.41,;15.22,-40.17,;16.62,-39.54,;17.66,-40.67,;16.9,-42.01,;17.38,-43.47,;16.36,-44.63,;14.85,-44.31,;14.36,-42.85,;15.39,-41.7,;12.54,-37.1,;11.21,-37.88,;11.22,-39.42,;9.87,-37.12,;9.86,-35.58,;11.19,-34.8,;11.18,-33.26,;12.51,-32.48,;12.5,-30.94,;11.16,-30.18,;13.84,-30.16,;8.54,-37.89,;7.2,-37.13,;7.19,-35.59,;5.87,-37.91,;5.88,-39.45,;7.22,-40.21,;7.23,-41.75,;8.56,-42.52,;8.57,-44.06,;7.24,-44.83,;9.91,-44.82,;4.53,-37.15,;3.2,-37.92,;3.21,-39.46,;1.86,-37.16,;1.85,-35.62,;3.19,-34.84,;3.18,-33.31,;1.84,-32.54,;4.51,-32.52,;.54,-37.94,;-.8,-37.17,;-.81,-35.63,;-2.13,-37.96,;-2.12,-39.5,;-.78,-40.25,;.62,-39.62,;1.65,-40.76,;.89,-42.1,;1.37,-43.56,;.35,-44.71,;-1.15,-44.4,;-1.64,-42.94,;-.62,-41.79,;-3.46,-37.19,;-4.79,-37.97,;-4.79,-39.51,;-6.14,-37.2,;-6.15,-35.67,;-4.82,-34.88,;-3.41,-35.5,;-2.38,-34.36,;-3.16,-33.02,;-2.69,-31.55,;-3.73,-30.42,;-5.23,-30.75,;-5.7,-32.21,;-4.67,-33.35,;-7.47,-37.98,;-8.8,-37.22,;-10.12,-37.99,;-8.8,-35.68,;43.22,-37.71,;43.22,-39.24,;44.55,-36.94,;45.89,-37.7,;45.89,-39.24,;47.21,-36.92,;47.2,-35.38,;48.55,-37.68,;49.88,-36.91,;49.88,-35.36,;51.2,-34.59,;51.19,-33.05,;52.52,-32.26,;52.51,-30.74,;51.18,-29.97,;53.85,-29.95,;51.22,-37.67,;52.55,-36.89,;51.23,-39.21,)|
Show InChI InChI=1S/C93H141N31O20/c1-48(2)38-68(78(132)110-46-74(127)114-69(39-49(3)4)84(138)112-50(5)76(130)120-67(89(143)144)30-19-37-106-93(101)102)121-81(135)62(26-14-15-33-94)118-88(142)73(47-125)124-77(131)51(6)111-79(133)63(27-16-34-103-90(95)96)117-86(140)71(41-54-44-108-60-24-12-9-21-57(54)60)122-82(136)65(29-18-36-105-92(99)100)115-80(134)64(28-17-35-104-91(97)98)116-83(137)66(31-32-75(128)129)119-87(141)72(42-55-45-109-61-25-13-10-22-58(55)61)123-85(139)70(113-52(7)126)40-53-43-107-59-23-11-8-20-56(53)59/h8-13,20-25,43-45,48-51,62-73,107-109,125H,14-19,26-42,46-47,94H2,1-7H3,(H,110,132)(H,111,133)(H,112,138)(H,113,126)(H,114,127)(H,115,134)(H,116,137)(H,117,140)(H,118,142)(H,119,141)(H,120,130)(H,121,135)(H,122,136)(H,123,139)(H,124,131)(H,128,129)(H,143,144)(H4,95,96,103)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t50-,51-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Antagonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as inhibition of increase in intracellular calcium compound pr...


J Med Chem 55: 4159-68 (2012)


Article DOI: 10.1021/jm201609k
BindingDB Entry DOI: 10.7270/Q24F1RS4
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008419
PNG
(CHEMBL3235550)
Show SMILES COc1ccccc1CC(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C16H13FN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008404
PNG
(CHEMBL3235541)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1
Show InChI InChI=1S/C17H15ClN2O2S/c1-2-22-13-6-7-14-15(10-13)23-17(19-14)20-16(21)9-11-4-3-5-12(18)8-11/h3-8,10H,2,9H2,1H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008505
PNG
(CHEMBL3235565)
Show SMILES COc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1
Show InChI InChI=1S/C16H12Cl2N2O2S/c1-22-10-3-5-13-14(8-10)23-16(19-13)20-15(21)7-9-2-4-11(17)12(18)6-9/h2-6,8H,7H2,1H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.24E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50008511
PNG
(CHEMBL3235571)
Show SMILES CCOc1ccc2nc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)sc2c1
Show InChI InChI=1S/C20H22N2O5S/c1-5-27-13-6-7-14-17(11-13)28-20(21-14)22-18(23)10-12-8-15(24-2)19(26-4)16(9-12)25-3/h6-9,11H,5,10H2,1-4H3,(H,21,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



CSIC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay


J Med Chem 57: 2755-72 (2014)


Article DOI: 10.1021/jm500065f
BindingDB Entry DOI: 10.7270/Q21N82NV
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 88 total )  |  Next  |  Last  >>
Jump to: