Found 72 hits with Last Name = 'martin' and Initial = 'ld' 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 |
|---|
Substance-K receptor
(Homo sapiens (Human)) | BDBM50071112
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37) | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM85083
(NKB [MePhe7])Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-55(82)47(32(3)4)68-53(80)40(23-33-14-10-8-11-15-33)66-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(27-46(73)74)67-52(79)41(25-35-28-59-30-61-35)65-50(77)38(19-21-85-7)64-49(76)36(57)26-45(71)72/h8-17,28,30-32,36-43,47H,18-27,29,57H2,1-7H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,81)(H,67,79)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1 | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50029464
(5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...)Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41) | PDB
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| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
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| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50052027
((E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-phe...)Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 Show InChI InChI=1S/C23H19Cl2NO3S/c24-18-7-4-8-19(25)23(18)30-15-17-9-11-21(20(26-17)10-12-22(27)28)29-14-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,27,28)/b12-10+ | PDB
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| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM81944
(CAS_86933-75-7 | NKB | NSC_5311312 | neuromedin K)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)C(N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73) | PDB
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| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50051293
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037391
(5-{2-(2-Carboxy-ethyl)-3-[6-(4-oxo-8-propyl-chroma...)Show SMILES CCCc1c(OCCCCCCc2cccc(OCCCCC(O)=O)c2CCC(O)=O)ccc2C(=O)CCOc12 Show InChI InChI=1S/C32H42O8/c1-2-10-26-29(17-15-25-27(33)19-22-40-32(25)26)39-20-7-4-3-5-11-23-12-9-13-28(24(23)16-18-31(36)37)38-21-8-6-14-30(34)35/h9,12-13,15,17H,2-8,10-11,14,16,18-22H2,1H3,(H,34,35)(H,36,37) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50053354
((E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[2-...)Show SMILES COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C24H21Cl2NO4S/c1-30-18-8-5-16(6-9-18)13-14-31-22-11-7-17(27-21(22)10-12-23(28)29)15-32-24-19(25)3-2-4-20(24)26/h2-12H,13-15H2,1H3,(H,28,29)/b12-10+ | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50051290
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037390
(3-{(S)-2-(2-Carboxy-ethyl)-7-[3-(2-cyclopropylmeth...)Show SMILES CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CC[C@@H](CCC(O)=O)Oc12 Show InChI InChI=1S/C31H41NO7/c1-4-6-23-26(14-10-21-9-11-22(39-29(21)23)12-16-28(33)34)37-17-5-18-38-27-15-13-24(31(35)32-2)30(36-3)25(27)19-20-7-8-20/h10,13-15,20,22H,4-9,11-12,16-19H2,1-3H3,(H,32,35)(H,33,34)/t22-/m0/s1 | PDB
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PC sid
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50053350
((E)-3-[3-[2-(4-Chloro-phenyl)-ethoxy]-6-(2,6-dichl...)Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl3NO3S/c24-16-6-4-15(5-7-16)12-13-30-21-10-8-17(27-20(21)9-11-22(28)29)14-31-23-18(25)2-1-3-19(23)26/h1-11H,12-14H2,(H,28,29)/b11-9+ | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50053353
((E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-(3-...)Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C24H21Cl2NO3S/c25-19-9-4-10-20(26)24(19)31-16-18-11-13-22(21(27-18)12-14-23(28)29)30-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14H,5,8,15-16H2,(H,28,29)/b14-12+ | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50053355
((E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[2-...)Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1 Show InChI InChI=1S/C23H18Cl2FNO3S/c24-18-2-1-3-19(25)23(18)31-14-17-8-10-21(20(27-17)9-11-22(28)29)30-13-12-15-4-6-16(26)7-5-15/h1-11H,12-14H2,(H,28,29)/b11-9+ | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50053351
((E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[4-...)Show SMILES COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H25Cl2NO4S/c1-32-20-11-8-18(9-12-20)5-2-3-16-33-24-14-10-19(29-23(24)13-15-25(30)31)17-34-26-21(27)6-4-7-22(26)28/h4,6-15H,2-3,5,16-17H2,1H3,(H,30,31)/b15-13+ | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50001609
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against LTB4 receptors in human PMNs using [3H]-LTB4 as radioligand |
J Med Chem 36: 2703-5 (1993)
BindingDB Entry DOI: 10.7270/Q2HQ3XZC |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50001609
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50053356
((E)-3-{3-[4-(4-Methoxy-phenyl)-butoxy]-6-phenylsul...)Show SMILES COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H27NO4S/c1-30-22-13-10-20(11-14-22)7-5-6-18-31-25-16-12-21(27-24(25)15-17-26(28)29)19-32-23-8-3-2-4-9-23/h2-4,8-17H,5-7,18-19H2,1H3,(H,28,29)/b17-15+ | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
MMDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50050650
((S)-N-{(S)-1-[(S)-1-({[(S)-1-((S)-1-Carbamoyl-3-me...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)CCC(O)=O)C(N)=O Show InChI InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53) | PDB
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| 2.85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037382
(5-{2-(2-Carboxy-ethyl)-3-[(E)-6-(4-methoxy-phenyl)...)Show SMILES COc1ccc(\C=C\CCCCOc2cccc(OCCCCC(O)=O)c2CCC(O)=O)cc1 Show InChI InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+ | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037382
(5-{2-(2-Carboxy-ethyl)-3-[(E)-6-(4-methoxy-phenyl)...)Show SMILES COc1ccc(\C=C\CCCCOc2cccc(OCCCCC(O)=O)c2CCC(O)=O)cc1 Show InChI InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+ | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against LTB4 receptors in human PMNs using [3H]-LTB4 as radioligand |
J Med Chem 36: 2703-5 (1993)
BindingDB Entry DOI: 10.7270/Q2HQ3XZC |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50042182
((E)-3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-m...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(N)c3)nc2C=CC(O)=O)cc1 |w:32.34| Show InChI InChI=1S/C30H36N2O5S/c1-36-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-37-29-18-14-25(32-28(29)17-19-30(33)34)22-38(35)27-11-8-10-24(31)21-27/h8,10-19,21H,2-7,9,20,22,31H2,1H3,(H,33,34) | PDB
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037376
(3-[6-((E)-2-Carboxy-vinyl)-5-(4-phenyl-butoxy)-pyr...)Show SMILES OC(=O)\C=C\c1nc(CSCc2cccc(c2)C(O)=O)ccc1OCCCCc1ccccc1 Show InChI InChI=1S/C27H27NO5S/c29-26(30)15-13-24-25(33-16-5-4-9-20-7-2-1-3-8-20)14-12-23(28-24)19-34-18-21-10-6-11-22(17-21)27(31)32/h1-3,6-8,10-15,17H,4-5,9,16,18-19H2,(H,29,30)(H,31,32)/b15-13+ | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037389
(4-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3ccc(cc3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-16-11-24(12-17-28)8-6-4-2-3-5-7-21-39-30-19-15-27(33-29(30)18-20-31(34)35)23-40-22-25-9-13-26(14-10-25)32(36)37/h9-20H,2-8,21-23H2,1H3,(H,34,35)(H,36,37)/b20-18+ | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037385
(3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+ | PDB
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| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037385
(3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+ | PDB
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| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037385
(3-{6-((E)-2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+ | PDB
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| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against LTB4 receptors in human PMNs |
J Med Chem 36: 2703-5 (1993)
BindingDB Entry DOI: 10.7270/Q2HQ3XZC |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037386
(3-{6-(2-Carboxy-ethyl)-5-[8-(4-methoxy-phenyl)-oct...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2CCC(O)=O)cc1 Show InChI InChI=1S/C32H39NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-16,18,21H,2-7,9,17,19-20,22-23H2,1H3,(H,34,35)(H,36,37) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037381
(3-{6-((E)-2-Carboxy-vinyl)-5-[4-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C28H29NO6S/c1-34-24-11-8-20(9-12-24)5-2-3-16-35-26-14-10-23(29-25(26)13-15-27(30)31)19-36-18-21-6-4-7-22(17-21)28(32)33/h4,6-15,17H,2-3,5,16,18-19H2,1H3,(H,30,31)(H,32,33)/b15-13+ | PDB
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| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50053352
((E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-(4-...)Show SMILES OC(=O)\C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 Show InChI InChI=1S/C22H16Cl2FNO3S/c23-17-2-1-3-18(24)22(17)30-13-16-8-10-20(19(26-16)9-11-21(27)28)29-12-14-4-6-15(25)7-5-14/h1-11H,12-13H2,(H,27,28)/b11-9+ | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils |
J Med Chem 39: 3837-41 (1996)
Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037387
(3-[6-((E)-2-Carboxy-vinyl)-5-(8-phenyl-octyloxy)-p...)Show SMILES OC(=O)\C=C\c1nc(CSCc2cccc(c2)C(O)=O)ccc1OCCCCCCCCc1ccccc1 Show InChI InChI=1S/C31H35NO5S/c33-30(34)19-17-28-29(37-20-9-4-2-1-3-6-11-24-12-7-5-8-13-24)18-16-27(32-28)23-38-22-25-14-10-15-26(21-25)31(35)36/h5,7-8,10,12-19,21H,1-4,6,9,11,20,22-23H2,(H,33,34)(H,35,36)/b19-17+ | PDB
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| 15.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM81944
(CAS_86933-75-7 | NKB | NSC_5311312 | neuromedin K)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)C(N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73) | PDB
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| 16.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(mouse) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
Reactome pathway
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| 17.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037379
(3-{6-(2-Carboxy-ethyl)-5-[4-(4-methoxy-phenyl)-but...)Show SMILES COc1ccc(CCCCOc2ccc(CSCc3cccc(c3)C(O)=O)nc2CCC(O)=O)cc1 Show InChI InChI=1S/C28H31NO6S/c1-34-24-11-8-20(9-12-24)5-2-3-16-35-26-14-10-23(29-25(26)13-15-27(30)31)19-36-18-21-6-4-7-22(17-21)28(32)33/h4,6-12,14,17H,2-3,5,13,15-16,18-19H2,1H3,(H,30,31)(H,32,33) | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50051290
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037378
(3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)Cc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO8S/c1-40-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-41-30-18-14-27(33-29(30)17-19-31(34)35)23-42(38,39)22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+ | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037384
(3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C31H35NO6S/c1-37-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-38-29-18-14-25(32-28(29)17-19-30(33)34)22-39-27-11-8-10-24(21-27)31(35)36/h8,10-19,21H,2-7,9,20,22H2,1H3,(H,33,34)(H,35,36)/b19-17+ | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(mouse) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
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| 82.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037388
(2-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSCc3ccccc3C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO6S/c1-38-27-16-13-24(14-17-27)10-6-4-2-3-5-9-21-39-30-19-15-26(33-29(30)18-20-31(34)35)23-40-22-25-11-7-8-12-28(25)32(36)37/h7-8,11-20H,2-6,9-10,21-23H2,1H3,(H,34,35)(H,36,37)/b20-18+ | PDB
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| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
Reactome pathway
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| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50051293
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1 | PDB
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| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037380
(4-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)Cc3ccc(cc3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO7S/c1-39-28-16-11-24(12-17-28)8-6-4-2-3-5-7-21-40-30-19-15-27(33-29(30)18-20-31(34)35)23-41(38)22-25-9-13-26(14-10-25)32(36)37/h9-20H,2-8,21-23H2,1H3,(H,34,35)(H,36,37)/b20-18+ | PDB
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| 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037377
(3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(c3)C(O)=O)nc2C=CC(O)=O)cc1 |w:34.36| Show InChI InChI=1S/C31H35NO7S/c1-38-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-39-29-18-14-25(32-28(29)17-19-30(33)34)22-40(37)27-11-8-10-24(21-27)31(35)36/h8,10-19,21H,2-7,9,20,22H2,1H3,(H,33,34)(H,35,36) | PDB
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| 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50037383
(3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)Cc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C32H37NO7S/c1-39-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-40-30-18-14-27(33-29(30)17-19-31(34)35)23-41(38)22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+ | PDB
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| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4. |
J Med Chem 37: 3327-36 (1994)
BindingDB Entry DOI: 10.7270/Q2HT2NC3 |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50042170
(3-{2-[6-(2-Carboxy-vinyl)-5-decyloxy-pyridin-2-yl]...)Show SMILES CCCCCCCCCCOc1ccc(CC(O)c2cccc(c2)C(O)=O)nc1\C=C\C(O)=O Show InChI InChI=1S/C27H35NO6/c1-2-3-4-5-6-7-8-9-17-34-25-15-13-22(28-23(25)14-16-26(30)31)19-24(29)20-11-10-12-21(18-20)27(32)33/h10-16,18,24,29H,2-9,17,19H2,1H3,(H,30,31)(H,32,33)/b16-14+ | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity against LTB4 receptors in human PMNs |
J Med Chem 36: 2703-5 (1993)
BindingDB Entry DOI: 10.7270/Q2HQ3XZC |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50071112
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37) | PDB
MMDB
Reactome pathway
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| 454 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
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SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 281: 1303-11 (1997)
BindingDB Entry DOI: 10.7270/Q2K35S61 |
More data for this
Ligand-Target Pair | |
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