Found 2 hits for monomerid = 50389006 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)) | BDBM50389006
(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
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63.1 | 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)) | BDBM50389006
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 148 | 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 | |
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