Found 2 hits Enz. Inhib. hit(s) with Target = 'C5a anaphylatoxin chemotactic receptor 1' and Ligand = 'BDBM50077486' 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)) | BDBM50077486
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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:39.41,9.9,wD:24.26,5.5,28.29,53.57,(5.65,-12.11,;6.42,-10.78,;5.65,-9.45,;6.42,-8.12,;5.65,-6.78,;6.42,-5.46,;5.65,-4.13,;4.32,-4.9,;4.32,-6.43,;2.99,-4.13,;1.66,-4.9,;2.99,-2.59,;4.32,-1.82,;4.32,-.28,;5.67,.49,;6.99,-.28,;6.99,-1.82,;5.67,-2.59,;7.75,-6.22,;7.75,-7.76,;9.08,-5.46,;9.47,-3.97,;11.01,-3.88,;11.57,-5.32,;10.37,-6.29,;11.69,-7.06,;13.03,-6.29,;11.69,-8.6,;13.03,-9.37,;14.32,-8.52,;15.69,-9.22,;17.3,-8.56,;17.94,-7.39,;18.3,-8.89,;16.63,-9.61,;16.05,-10.72,;13.79,-10.69,;15.33,-10.69,;13.01,-12.01,;14.11,-13.11,;15.6,-12.71,;16.68,-13.81,;16.27,-15.3,;17.82,-16.04,;18.91,-14.95,;20.45,-15.04,;21.29,-13.74,;20.59,-12.36,;19.06,-12.27,;18.22,-13.58,;13.69,-14.6,;12.5,-14.92,;14.78,-15.7,;14.37,-17.18,;15.91,-17.35,;16.54,-18.75,;18.07,-18.92,;18.68,-20.31,;20.22,-20.48,;21.12,-19.24,;20.84,-21.89,;13.48,-18.43,;14.09,-19.83,;11.94,-18.26,)| Show InChI InChI=1S/C46H67N11O7/c47-22-10-9-19-35(53-40(58)33(48)25-29-13-3-1-4-14-29)44(62)57-24-12-21-39(57)43(61)56-37(26-30-15-5-2-6-16-30)41(59)55-38(27-31-28-52-34-18-8-7-17-32(31)34)42(60)54-36(45(63)64)20-11-23-51-46(49)50/h1,3-4,7-8,13-14,17-18,28,30,33,35-39,52H,2,5-6,9-12,15-16,19-27,47-48H2,(H,53,58)(H,54,60)(H,55,59)(H,56,61)(H,63,64)(H4,49,50,51)/t33-,35-,36+,37+,38-,39+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.95E+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)) | BDBM50077486
((R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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:39.41,9.9,wD:24.26,5.5,28.29,53.57,(5.65,-12.11,;6.42,-10.78,;5.65,-9.45,;6.42,-8.12,;5.65,-6.78,;6.42,-5.46,;5.65,-4.13,;4.32,-4.9,;4.32,-6.43,;2.99,-4.13,;1.66,-4.9,;2.99,-2.59,;4.32,-1.82,;4.32,-.28,;5.67,.49,;6.99,-.28,;6.99,-1.82,;5.67,-2.59,;7.75,-6.22,;7.75,-7.76,;9.08,-5.46,;9.47,-3.97,;11.01,-3.88,;11.57,-5.32,;10.37,-6.29,;11.69,-7.06,;13.03,-6.29,;11.69,-8.6,;13.03,-9.37,;14.32,-8.52,;15.69,-9.22,;17.3,-8.56,;17.94,-7.39,;18.3,-8.89,;16.63,-9.61,;16.05,-10.72,;13.79,-10.69,;15.33,-10.69,;13.01,-12.01,;14.11,-13.11,;15.6,-12.71,;16.68,-13.81,;16.27,-15.3,;17.82,-16.04,;18.91,-14.95,;20.45,-15.04,;21.29,-13.74,;20.59,-12.36,;19.06,-12.27,;18.22,-13.58,;13.69,-14.6,;12.5,-14.92,;14.78,-15.7,;14.37,-17.18,;15.91,-17.35,;16.54,-18.75,;18.07,-18.92,;18.68,-20.31,;20.22,-20.48,;21.12,-19.24,;20.84,-21.89,;13.48,-18.43,;14.09,-19.83,;11.94,-18.26,)| Show InChI InChI=1S/C46H67N11O7/c47-22-10-9-19-35(53-40(58)33(48)25-29-13-3-1-4-14-29)44(62)57-24-12-21-39(57)43(61)56-37(26-30-15-5-2-6-16-30)41(59)55-38(27-31-28-52-34-18-8-7-17-32(31)34)42(60)54-36(45(63)64)20-11-23-51-46(49)50/h1,3-4,7-8,13-14,17-18,28,30,33,35-39,52H,2,5-6,9-12,15-16,19-27,47-48H2,(H,53,58)(H,54,60)(H,55,59)(H,56,61)(H,63,64)(H4,49,50,51)/t33-,35-,36+,37+,38-,39+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+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 | |
Search and Browse
