Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50077496' 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)) | BDBM50077496
(2-[2-(2-{[1-(6-Amino-2-{2-[6-amino-2-(2-amino-3-ph...)Show SMILES CC(=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:42.44,4.3,wD:27.29,15.15,31.32,56.60,(-.93,-5.53,;.4,-4.76,;.4,-3.22,;1.73,-5.54,;3.06,-4.77,;3.06,-3.23,;4.39,-2.46,;5.72,-3.23,;7.05,-2.46,;7.05,-.92,;5.72,-.15,;4.39,-.92,;4.39,-5.54,;4.39,-7.08,;5.72,-4.77,;6.49,-6.1,;5.72,-7.43,;6.49,-8.76,;5.72,-10.09,;6.49,-11.43,;5.72,-12.76,;7.82,-6.87,;7.82,-8.41,;9.15,-6.1,;9.54,-4.6,;11.08,-4.53,;11.64,-5.96,;10.44,-6.94,;11.77,-7.71,;13.1,-6.94,;11.77,-9.25,;13.1,-10.02,;14.4,-9.17,;15.76,-9.87,;16.13,-11.37,;16.71,-10.25,;18.37,-9.53,;18.01,-8.03,;17.37,-9.2,;13.86,-11.34,;15.4,-11.34,;13.07,-12.67,;14.17,-13.75,;15.66,-13.35,;16.76,-14.45,;16.34,-15.94,;17.9,-16.69,;18.98,-15.59,;20.53,-15.69,;21.38,-14.4,;20.68,-13,;19.13,-12.93,;18.29,-14.22,;13.77,-15.24,;12.56,-15.57,;14.85,-16.34,;14.45,-17.83,;15.98,-18,;16.61,-19.4,;18.14,-19.56,;18.77,-20.98,;20.3,-21.14,;21.19,-19.89,;20.91,-22.55,;13.54,-19.07,;14.17,-20.49,;12.02,-18.91,)| Show InChI InChI=1S/C48H69N11O8/c1-30(60)54-38(26-31-14-4-2-5-15-31)42(61)55-36(20-10-11-23-49)46(65)59-25-13-22-41(59)45(64)58-39(27-32-16-6-3-7-17-32)43(62)57-40(28-33-29-53-35-19-9-8-18-34(33)35)44(63)56-37(47(66)67)21-12-24-52-48(50)51/h2,4-5,8-9,14-15,18-19,29,32,36-41,53H,3,6-7,10-13,16-17,20-28,49H2,1H3,(H,54,60)(H,55,61)(H,56,63)(H,57,62)(H,58,64)(H,66,67)(H4,50,51,52)/t36-,37+,38-,39+,40-,41+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.57E+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)) | BDBM50077496
(2-[2-(2-{[1-(6-Amino-2-{2-[6-amino-2-(2-amino-3-ph...)Show SMILES CC(=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:42.44,4.3,wD:27.29,15.15,31.32,56.60,(-.93,-5.53,;.4,-4.76,;.4,-3.22,;1.73,-5.54,;3.06,-4.77,;3.06,-3.23,;4.39,-2.46,;5.72,-3.23,;7.05,-2.46,;7.05,-.92,;5.72,-.15,;4.39,-.92,;4.39,-5.54,;4.39,-7.08,;5.72,-4.77,;6.49,-6.1,;5.72,-7.43,;6.49,-8.76,;5.72,-10.09,;6.49,-11.43,;5.72,-12.76,;7.82,-6.87,;7.82,-8.41,;9.15,-6.1,;9.54,-4.6,;11.08,-4.53,;11.64,-5.96,;10.44,-6.94,;11.77,-7.71,;13.1,-6.94,;11.77,-9.25,;13.1,-10.02,;14.4,-9.17,;15.76,-9.87,;16.13,-11.37,;16.71,-10.25,;18.37,-9.53,;18.01,-8.03,;17.37,-9.2,;13.86,-11.34,;15.4,-11.34,;13.07,-12.67,;14.17,-13.75,;15.66,-13.35,;16.76,-14.45,;16.34,-15.94,;17.9,-16.69,;18.98,-15.59,;20.53,-15.69,;21.38,-14.4,;20.68,-13,;19.13,-12.93,;18.29,-14.22,;13.77,-15.24,;12.56,-15.57,;14.85,-16.34,;14.45,-17.83,;15.98,-18,;16.61,-19.4,;18.14,-19.56,;18.77,-20.98,;20.3,-21.14,;21.19,-19.89,;20.91,-22.55,;13.54,-19.07,;14.17,-20.49,;12.02,-18.91,)| Show InChI InChI=1S/C48H69N11O8/c1-30(60)54-38(26-31-14-4-2-5-15-31)42(61)55-36(20-10-11-23-49)46(65)59-25-13-22-41(59)45(64)58-39(27-32-16-6-3-7-17-32)43(62)57-40(28-33-29-53-35-19-9-8-18-34(33)35)44(63)56-37(47(66)67)21-12-24-52-48(50)51/h2,4-5,8-9,14-15,18-19,29,32,36-41,53H,3,6-7,10-13,16-17,20-28,49H2,1H3,(H,54,60)(H,55,61)(H,56,63)(H,57,62)(H,58,64)(H,66,67)(H4,50,51,52)/t36-,37+,38-,39+,40-,41+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.79E+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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