Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50077502' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077502
(CHEMBL2373550 | H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:54.55,7.9,23.29,70.71,124.128,86.87,44.46,wD:109.113,3.3,13.20,97.99,61.62,32.42,113.116,138.144,(7.23,-10.13,;8.57,-9.34,;9.92,-10.13,;8.57,-7.78,;7.34,-6.88,;6.23,-6.88,;6.25,-8.45,;4.95,-6.01,;4.95,-4.44,;6.29,-3.67,;3.72,-6.9,;2.6,-6.92,;2.62,-5.35,;1.33,-7.78,;1.33,-9.34,;2.67,-10.13,;4.15,-9.63,;5.07,-10.88,;4.17,-12.14,;2.69,-11.67,;.1,-6.88,;-1.01,-6.88,;-1,-8.45,;-2.31,-6.01,;-2.3,-4.44,;-.96,-3.67,;-.96,-2.11,;.39,-1.34,;.39,.22,;-3.53,-6.9,;-4.65,-6.92,;-4.63,-5.35,;-5.92,-7.78,;-5.92,-9.34,;-4.58,-10.13,;-3.24,-9.34,;-1.9,-10.13,;-1.9,-11.67,;-.55,-12.45,;-3.24,-12.45,;-4.58,-11.67,;-7.16,-6.88,;-8.26,-6.88,;-8.25,-8.45,;-9.55,-6.01,;-10.78,-6.9,;-9.55,-4.44,;-8.21,-3.67,;-8.21,-2.11,;-6.87,-1.34,;-6.87,.22,;9.86,-6.92,;9.87,-5.35,;10.98,-6.9,;12.2,-6.01,;12.2,-4.44,;13.55,-3.67,;10.86,-3.66,;13.48,-6.88,;13.48,-8.45,;14.6,-6.88,;15.81,-7.78,;15.81,-9.34,;17.17,-10.13,;17.17,-11.67,;18.5,-12.45,;18.5,-14,;17.11,-6.92,;17.11,-5.35,;18.22,-6.9,;19.44,-6.01,;19.44,-4.44,;20.8,-3.67,;20.8,-2.11,;22.14,-1.34,;22.14,.22,;20.74,-6.88,;20.74,-8.45,;22.1,-6.14,;23.69,-5.24,;25.28,-6.14,;26.87,-5.22,;28.46,-6.14,;30.05,-5.22,;30.05,-3.38,;31.32,-5.95,;32.58,-5.22,;32.58,-3.77,;33.83,-3.04,;35.1,-3.77,;36.36,-3.04,;36.36,-1.57,;35.1,-.86,;33.83,-1.57,;33.83,-5.95,;33.83,-7.4,;35.1,-5.22,;35.82,-6.48,;35.09,-7.73,;35.82,-9,;35.09,-10.26,;35.8,-11.51,;35.08,-12.77,;37.08,-7.21,;37.07,-8.66,;38.33,-6.48,;38.69,-5.07,;40.16,-5,;40.68,-6.36,;39.56,-7.28,;40.81,-8,;42.07,-7.28,;40.81,-9.45,;42.07,-10.19,;43.28,-9.39,;44.58,-10.04,;46.1,-9.42,;46.71,-8.31,;47.06,-9.72,;45.47,-10.42,;44.93,-11.46,;42.78,-11.42,;44.24,-11.42,;42.05,-12.69,;43.08,-13.72,;44.49,-13.35,;45.52,-14.38,;45.13,-15.79,;46.59,-16.48,;47.62,-15.45,;49.08,-15.54,;49.89,-14.33,;49.21,-13.01,;47.76,-12.92,;46.97,-14.16,;42.7,-15.13,;41.56,-15.43,;43.72,-16.17,;43.35,-17.57,;44.78,-17.73,;45.39,-19.06,;46.83,-19.22,;47.42,-20.54,;48.87,-20.69,;49.72,-19.52,;49.46,-22.03,;42.49,-18.75,;43.08,-20.08,;41.04,-18.59,)| Show InChI InChI=1S/C103H163N27O19/c1-62(2)86(129-100(146)87(63(3)4)128-97(143)83(60-131)127-96(142)82(57-68-59-112-61-116-68)125-91(137)74(35-15-21-47-106)119-93(139)79(55-66-41-43-69(132)44-42-66)123-88(134)71(109)32-13-19-45-104)99(145)120-75(36-16-22-48-107)90(136)118-73(34-14-20-46-105)89(135)113-50-24-18-40-85(133)117-78(53-64-27-7-5-8-28-64)92(138)121-76(37-17-23-49-108)101(147)130-52-26-39-84(130)98(144)126-80(54-65-29-9-6-10-30-65)94(140)124-81(56-67-58-115-72-33-12-11-31-70(67)72)95(141)122-77(102(148)149)38-25-51-114-103(110)111/h5,7-8,11-12,27-28,31,33,41-44,58-59,61-63,65,71,73-84,86-87,115,131-132H,6,9-10,13-26,29-30,32,34-40,45-57,60,104-109H2,1-4H3,(H,112,116)(H,113,135)(H,117,133)(H,118,136)(H,119,139)(H,120,145)(H,121,138)(H,122,141)(H,123,134)(H,124,140)(H,125,137)(H,126,144)(H,127,142)(H,128,143)(H,129,146)(H,148,149)(H4,110,111,114)/t71-,73-,74-,75-,76-,77+,78-,79-,80+,81-,82-,83-,84+,86-,87-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50077502
(CHEMBL2373550 | H-Lys-Tyr-Lys-His-Ser-Val-Val-Lys-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:54.55,7.9,23.29,70.71,124.128,86.87,44.46,wD:109.113,3.3,13.20,97.99,61.62,32.42,113.116,138.144,(7.23,-10.13,;8.57,-9.34,;9.92,-10.13,;8.57,-7.78,;7.34,-6.88,;6.23,-6.88,;6.25,-8.45,;4.95,-6.01,;4.95,-4.44,;6.29,-3.67,;3.72,-6.9,;2.6,-6.92,;2.62,-5.35,;1.33,-7.78,;1.33,-9.34,;2.67,-10.13,;4.15,-9.63,;5.07,-10.88,;4.17,-12.14,;2.69,-11.67,;.1,-6.88,;-1.01,-6.88,;-1,-8.45,;-2.31,-6.01,;-2.3,-4.44,;-.96,-3.67,;-.96,-2.11,;.39,-1.34,;.39,.22,;-3.53,-6.9,;-4.65,-6.92,;-4.63,-5.35,;-5.92,-7.78,;-5.92,-9.34,;-4.58,-10.13,;-3.24,-9.34,;-1.9,-10.13,;-1.9,-11.67,;-.55,-12.45,;-3.24,-12.45,;-4.58,-11.67,;-7.16,-6.88,;-8.26,-6.88,;-8.25,-8.45,;-9.55,-6.01,;-10.78,-6.9,;-9.55,-4.44,;-8.21,-3.67,;-8.21,-2.11,;-6.87,-1.34,;-6.87,.22,;9.86,-6.92,;9.87,-5.35,;10.98,-6.9,;12.2,-6.01,;12.2,-4.44,;13.55,-3.67,;10.86,-3.66,;13.48,-6.88,;13.48,-8.45,;14.6,-6.88,;15.81,-7.78,;15.81,-9.34,;17.17,-10.13,;17.17,-11.67,;18.5,-12.45,;18.5,-14,;17.11,-6.92,;17.11,-5.35,;18.22,-6.9,;19.44,-6.01,;19.44,-4.44,;20.8,-3.67,;20.8,-2.11,;22.14,-1.34,;22.14,.22,;20.74,-6.88,;20.74,-8.45,;22.1,-6.14,;23.69,-5.24,;25.28,-6.14,;26.87,-5.22,;28.46,-6.14,;30.05,-5.22,;30.05,-3.38,;31.32,-5.95,;32.58,-5.22,;32.58,-3.77,;33.83,-3.04,;35.1,-3.77,;36.36,-3.04,;36.36,-1.57,;35.1,-.86,;33.83,-1.57,;33.83,-5.95,;33.83,-7.4,;35.1,-5.22,;35.82,-6.48,;35.09,-7.73,;35.82,-9,;35.09,-10.26,;35.8,-11.51,;35.08,-12.77,;37.08,-7.21,;37.07,-8.66,;38.33,-6.48,;38.69,-5.07,;40.16,-5,;40.68,-6.36,;39.56,-7.28,;40.81,-8,;42.07,-7.28,;40.81,-9.45,;42.07,-10.19,;43.28,-9.39,;44.58,-10.04,;46.1,-9.42,;46.71,-8.31,;47.06,-9.72,;45.47,-10.42,;44.93,-11.46,;42.78,-11.42,;44.24,-11.42,;42.05,-12.69,;43.08,-13.72,;44.49,-13.35,;45.52,-14.38,;45.13,-15.79,;46.59,-16.48,;47.62,-15.45,;49.08,-15.54,;49.89,-14.33,;49.21,-13.01,;47.76,-12.92,;46.97,-14.16,;42.7,-15.13,;41.56,-15.43,;43.72,-16.17,;43.35,-17.57,;44.78,-17.73,;45.39,-19.06,;46.83,-19.22,;47.42,-20.54,;48.87,-20.69,;49.72,-19.52,;49.46,-22.03,;42.49,-18.75,;43.08,-20.08,;41.04,-18.59,)| Show InChI InChI=1S/C103H163N27O19/c1-62(2)86(129-100(146)87(63(3)4)128-97(143)83(60-131)127-96(142)82(57-68-59-112-61-116-68)125-91(137)74(35-15-21-47-106)119-93(139)79(55-66-41-43-69(132)44-42-66)123-88(134)71(109)32-13-19-45-104)99(145)120-75(36-16-22-48-107)90(136)118-73(34-14-20-46-105)89(135)113-50-24-18-40-85(133)117-78(53-64-27-7-5-8-28-64)92(138)121-76(37-17-23-49-108)101(147)130-52-26-39-84(130)98(144)126-80(54-65-29-9-6-10-30-65)94(140)124-81(56-67-58-115-72-33-12-11-31-70(67)72)95(141)122-77(102(148)149)38-25-51-114-103(110)111/h5,7-8,11-12,27-28,31,33,41-44,58-59,61-63,65,71,73-84,86-87,115,131-132H,6,9-10,13-26,29-30,32,34-40,45-57,60,104-109H2,1-4H3,(H,112,116)(H,113,135)(H,117,133)(H,118,136)(H,119,139)(H,120,145)(H,121,138)(H,122,141)(H,123,134)(H,124,140)(H,125,137)(H,126,144)(H,127,142)(H,128,143)(H,129,146)(H,148,149)(H4,110,111,114)/t71-,73-,74-,75-,76-,77+,78-,79-,80+,81-,82-,83-,84+,86-,87-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor |
J Med Chem 42: 1965-74 (1999)
Article DOI: 10.1021/jm9806594
BindingDB Entry DOI: 10.7270/Q2JQ106W |
More data for this
Ligand-Target Pair | |
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