Found 2 hits for monomerid = 50388997 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C3a anaphylatoxin chemotactic receptor
(Homo sapiens (Human)) | BDBM50388997
(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
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23.4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50388997
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Princeton University
Curated by ChEMBL
| Assay Description
Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay |
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 | |
Search and Browse
