Found 16 hits of Enzyme Inhibition Constant Data 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-P receptor
(Homo sapiens (Human)) | BDBM50372480
(CHEMBL270090)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CNC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19F7N2O2/c1-11(13-6-14(21(24,25)26)8-15(7-13)22(27,28)29)33-18-10-31-17(9-30-20(31)32)19(18)12-2-4-16(23)5-3-12/h2-8,11,17-19H,9-10H2,1H3,(H,30,32)/t11-,17+,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50234162
((6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phen...)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F7NO2/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)33-19-11-31-18(6-7-20(31)32)21(19)13-2-4-17(24)5-3-13/h2-5,8-10,12,18-19,21H,6-7,11H2,1H3/t12-,18+,19+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372485
(CHEMBL409520)Show SMILES C[C@@H](O[C@H]1CN2[C@H](COC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H18F7NO3/c1-11(13-6-14(21(24,25)26)8-15(7-13)22(27,28)29)33-18-9-30-17(10-32-20(30)31)19(18)12-2-4-16(23)5-3-12/h2-8,11,17-19H,9-10H2,1H3/t11-,17-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372486
(CHEMBL272569)Show SMILES C[C@@H](O[C@H]1CN2[C@H](COC2=O)[C@@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19F6NO3/c1-12(14-7-15(21(23,24)25)9-16(8-14)22(26,27)28)32-18-10-29-17(11-31-20(29)30)19(18)13-5-3-2-4-6-13/h2-9,12,17-19H,10-11H2,1H3/t12-,17-,18+,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372479
(CHEMBL259251)Show SMILES C[C@@H](O[C@H]1CN([C@@H](CO)[C@@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H28F7NO4/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)37-21-12-34(23(36)38-24(2,3)4)20(13-35)22(21)15-5-7-19(27)8-6-15/h5-11,14,20-22,35H,12-13H2,1-4H3/t14-,20+,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372483
(CHEMBL272469)Show SMILES C[C@@H](O[C@H]1[C@@H]2COC(=O)N2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H18F7NO3/c1-11(13-6-14(21(24,25)26)8-15(7-13)22(27,28)29)33-19-17(12-2-4-16(23)5-3-12)9-30-18(19)10-32-20(30)31/h2-8,11,17-19H,9-10H2,1H3/t11-,17-,18+,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372490
(CHEMBL408960)Show SMILES C[C@@H](O[C@H]1CN([C@@H](CO)[C@@H]1c1ccccc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H29F6NO4/c1-15(17-10-18(25(27,28)29)12-19(11-17)26(30,31)32)36-21-13-33(23(35)37-24(2,3)4)20(14-34)22(21)16-8-6-5-7-9-16/h5-12,15,20-22,34H,13-14H2,1-4H3/t15-,20+,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372477
(CHEMBL270751)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CN(C)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F7N2O2/c1-12(14-7-15(22(25,26)27)9-16(8-14)23(28,29)30)34-19-11-32-18(10-31(2)21(32)33)20(19)13-3-5-17(24)6-4-13/h3-9,12,18-20H,10-11H2,1-2H3/t12-,18+,19+,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372478
(CHEMBL402895)Show SMILES C[C@@H](O[C@H]1[C@H]2COC(=O)N2C[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H18F7NO3/c1-11(13-6-14(21(24,25)26)8-15(7-13)22(27,28)29)33-19-17(12-2-4-16(23)5-3-12)9-30-18(19)10-32-20(30)31/h2-8,11,17-19H,9-10H2,1H3/t11-,17-,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372488
(CHEMBL404089)Show SMILES C[C@@H](O[C@H]1[C@H](CO)N(C[C@@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H28F7NO4/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)37-22-20(15-5-7-19(27)8-6-15)12-34(21(22)13-35)23(36)38-24(2,3)4/h5-11,14,20-22,35H,12-13H2,1-4H3/t14-,20-,21+,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372484
(CHEMBL411242)Show SMILES C[C@@H](O[C@H]1[C@@H]2COC(=O)N2C[C@@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19F6NO3/c1-12(14-7-15(21(23,24)25)9-16(8-14)22(26,27)28)32-19-17(13-5-3-2-4-6-13)10-29-18(19)11-31-20(29)30/h2-9,12,17-19H,10-11H2,1H3/t12-,17-,18+,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372487
(CHEMBL438759)Show SMILES C[C@@H](O[C@H]1[C@H]2COC(=O)N2C[C@@H]1c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19F6NO3/c1-12(14-7-15(21(23,24)25)9-16(8-14)22(26,27)28)32-19-17(13-5-3-2-4-6-13)10-29-18(19)11-31-20(29)30/h2-9,12,17-19H,10-11H2,1H3/t12-,17-,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372482
(CHEMBL270114)Show SMILES C[C@@H](O[C@H]1CN2[C@@H](CN(Cc3ccccc3)C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C29H25F7N2O2/c1-17(20-11-21(28(31,32)33)13-22(12-20)29(34,35)36)40-25-16-38-24(26(25)19-7-9-23(30)10-8-19)15-37(27(38)39)14-18-5-3-2-4-6-18/h2-13,17,24-26H,14-16H2,1H3/t17-,24+,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372489
(CHEMBL257112)Show SMILES C[C@@H](O[C@H]1[C@H](CO)N(C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H29F6NO4/c1-15(17-10-18(25(27,28)29)12-19(11-17)26(30,31)32)36-22-20(16-8-6-5-7-9-16)13-33(21(22)14-34)23(35)37-24(2,3)4/h5-12,15,20-22,34H,13-14H2,1-4H3/t15-,20-,21+,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372491
(CHEMBL440587)Show SMILES C[C@@H](O[C@@H]1[C@H](CO)N(C[C@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H28F7NO4/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)37-22-20(15-5-7-19(27)8-6-15)12-34(21(22)13-35)23(36)38-24(2,3)4/h5-11,14,20-22,35H,12-13H2,1-4H3/t14-,20+,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50372481
(CHEMBL408484)Show SMILES C[C@@H](O[C@@H]1[C@H](CO)N(C[C@H]1c1ccccc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H29F6NO4/c1-15(17-10-18(25(27,28)29)12-19(11-17)26(30,31)32)36-22-20(16-8-6-5-7-9-16)13-33(21(22)14-34)23(35)37-24(2,3)4/h5-12,15,20-22,34H,13-14H2,1-4H3/t15-,20+,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]L-703606 from human NK1 expressed in CHO cells |
Bioorg Med Chem 16: 2156-70 (2008)
Article DOI: 10.1016/j.bmc.2007.11.081
BindingDB Entry DOI: 10.7270/Q2BK1D6M |
More data for this
Ligand-Target Pair | |
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