Found 3 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-K receptor
(Homo sapiens (Human)) | BDBM50001447
(CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu...)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](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](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)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity to human NK2 receptor expressed in Sf-9 insect larval cells using 0.1 nM 2-[125 I] iodohistidyl neurokinin A |
Bioorg Med Chem Lett 7: 715-718 (1997)
Article DOI: 10.1016/S0960-894X(97)00088-7
BindingDB Entry DOI: 10.7270/Q2513ZQN |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50291326
(CHEMBL264972 | Neurokinin A derivative)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccc(NC(=S)c2ccccc2)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCS)C(N)=O Show InChI InChI=1S/C65H92N16O15S2/c1-35(2)26-46(58(90)74-44(23-25-97)55(68)87)73-51(84)32-70-63(95)53(36(3)4)80-61(93)48(27-38-14-8-6-9-15-38)77-62(94)50(33-82)79-60(92)49(30-52(85)86)78-64(96)54(37(5)83)81-57(89)45(18-12-13-24-66)75-59(91)47(76-56(88)43(67)29-42-31-69-34-71-42)28-39-19-21-41(22-20-39)72-65(98)40-16-10-7-11-17-40/h6-11,14-17,19-22,31,34-37,43-50,53-54,82-83,97H,12-13,18,23-30,32-33,66-67H2,1-5H3,(H2,68,87)(H,69,71)(H,70,95)(H,72,98)(H,73,84)(H,74,90)(H,75,91)(H,76,88)(H,77,94)(H,78,96)(H,79,92)(H,80,93)(H,81,89)(H,85,86)/t37-,43+,44+,45+,46+,47-,48+,49+,50+,53+,54+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity to human NK2 receptor expressed in Sf-9 insect larval cells using 0.1 nM 2-[125 I] iodohistidyl neurokinin A |
Bioorg Med Chem Lett 7: 715-718 (1997)
Article DOI: 10.1016/S0960-894X(97)00088-7
BindingDB Entry DOI: 10.7270/Q2513ZQN |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50291328
(CHEMBL412740 | Neurokinin A derivative)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccc(NC(=S)Cc2ccccc2)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCS)C(N)=O Show InChI InChI=1S/C69H96N14O16S2/c1-38(2)30-50(63(93)76-48(27-29-100)60(72)90)75-55(87)36-73-68(98)58(39(3)4)82-66(96)52(32-41-14-8-6-9-15-41)79-67(97)54(37-84)81-65(95)53(35-57(88)89)80-69(99)59(40(5)85)83-62(92)49(18-12-13-28-70)77-64(94)51(78-61(91)47(71)31-43-21-25-46(86)26-22-43)33-44-19-23-45(24-20-44)74-56(101)34-42-16-10-7-11-17-42/h6-11,14-17,19-26,38-40,47-54,58-59,84-86,100H,12-13,18,27-37,70-71H2,1-5H3,(H2,72,90)(H,73,98)(H,74,101)(H,75,87)(H,76,93)(H,77,94)(H,78,91)(H,79,97)(H,80,99)(H,81,95)(H,82,96)(H,83,92)(H,88,89)/t40-,47+,48+,49+,50+,51-,52+,53+,54+,58+,59+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity to human NK2 receptor expressed in Sf-9 insect larval cells using 0.1 nM 2-[125 I] iodohistidyl neurokinin A |
Bioorg Med Chem Lett 7: 715-718 (1997)
Article DOI: 10.1016/S0960-894X(97)00088-7
BindingDB Entry DOI: 10.7270/Q2513ZQN |
More data for this
Ligand-Target Pair | |
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