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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'al-ani' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
F2RL1


(RAT)
BDBM85517
PNG
(CAS_171436-38-7 | SL-NH2 | SLIGRL-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C29H56N10O7/c1-7-17(6)23(39-27(45)21(12-16(4)5)38-25(43)18(30)14-40)28(46)35-13-22(41)36-19(9-8-10-34-29(32)33)26(44)37-20(24(31)42)11-15(2)3/h15-21,23,40H,7-14,30H2,1-6H3,(H2,31,42)(H,35,46)(H,36,41)(H,37,44)(H,38,43)(H,39,45)(H4,32,33,34)/t17-,18-,19-,20-,21-,23-/m0/s1
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260n/an/an/an/an/an/an/an/a



The University of Calgary

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 753-60 (1999)


BindingDB Entry DOI: 10.7270/Q2N878BQ
More data for this
Ligand-Target Pair
F2RL1


(RAT)
BDBM85518
PNG
(tc-NH2 | trans-cinnamoyl-LIGRLO-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C=Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(N)=O
Show InChI InChI=1S/C40H67N11O7/c1-7-26(6)34(51-38(57)30(21-24(2)3)48-32(52)18-17-27-13-9-8-10-14-27)39(58)46-23-33(53)47-29(16-12-20-45-40(43)44)36(55)50-31(22-25(4)5)37(56)49-28(35(42)54)15-11-19-41/h8-10,13-14,17-18,24-26,28-31,34H,7,11-12,15-16,19-23,41H2,1-6H3,(H2,42,54)(H,46,58)(H,47,53)(H,48,52)(H,49,56)(H,50,55)(H,51,57)(H4,43,44,45)/t26-,28-,29-,30-,31-,34-/m0/s1
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260n/an/an/an/an/an/an/an/a



The University of Calgary

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 753-60 (1999)


BindingDB Entry DOI: 10.7270/Q2N878BQ
More data for this
Ligand-Target Pair
F2RL1


(RAT)
BDBM85516
PNG
(CAS_141923-41-3 | P5-NH2 | SFLLR-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C30H51N9O6/c1-17(2)13-22(27(43)36-21(25(32)41)11-8-12-35-30(33)34)38-28(44)23(14-18(3)4)39-29(45)24(37-26(42)20(31)16-40)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-24,40H,8,11-16,31H2,1-4H3,(H2,32,41)(H,36,43)(H,37,42)(H,38,44)(H,39,45)(H4,33,34,35)/t20-,21-,22-,23-,24-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



The University of Calgary

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 753-60 (1999)


BindingDB Entry DOI: 10.7270/Q2N878BQ
More data for this
Ligand-Target Pair
F2RL1


(RAT)
BDBM85088
PNG
(SFLLR-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C30H50N8O7/c1-17(2)13-22(26(41)35-21(29(44)45)11-8-12-34-30(32)33)37-27(42)23(14-18(3)4)38-28(43)24(36-25(40)20(31)16-39)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-24,39H,8,11-16,31H2,1-4H3,(H,35,41)(H,36,40)(H,37,42)(H,38,43)(H,44,45)(H4,32,33,34)/t20-,21-,22-,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Calgary

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 753-60 (1999)


BindingDB Entry DOI: 10.7270/Q2N878BQ
More data for this
Ligand-Target Pair