Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50003379 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)) | BDBM50469874
(CHEMBL59780)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38-,39-,40-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469872
(CHEMBL413650)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C56H65N13O11/c1-3-4-20-40(49(58)70)61-54(75)45-22-13-26-67(45)56(77)46-23-14-27-68(46)55(76)43(28-33-15-7-5-8-16-33)64-53(74)41(29-35-31-59-39-21-12-11-19-36(35)39)62-50(71)32(2)60-52(73)42(63-51(72)34-17-9-6-10-18-34)30-38(57)37-24-25-44(69(78)79)48-47(37)65-80-66-48/h5-12,15-19,21,24-25,31-32,38,40-43,45-46,59H,3-4,13-14,20,22-23,26-30,57H2,1-2H3,(H2,58,70)(H,60,73)(H,61,75)(H,62,71)(H,63,72)(H,64,74)/t32-,38?,40-,41-,42-,43-,45-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469869
(CHEMBL217548)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C57H67N13O11/c1-3-4-20-41(50(59)71)62-55(76)46-22-13-28-68(46)57(78)47-23-14-29-69(47)56(77)44(30-34-15-7-5-8-16-34)65-54(75)43(31-36-32-60-40-21-12-11-19-37(36)40)64-51(72)33(2)61-53(74)42(63-52(73)35-17-9-6-10-18-35)26-25-39(58)38-24-27-45(70(79)80)49-48(38)66-81-67-49/h5-12,15-19,21,24,27,32-33,39,41-44,46-47,60H,3-4,13-14,20,22-23,25-26,28-31,58H2,1-2H3,(H2,59,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)/t33-,39?,41-,42-,43-,44-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469867
(CHEMBL268783)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C58H69N13O11/c1-3-4-22-42(51(60)72)63-56(77)47-25-14-29-69(47)58(79)48-26-15-30-70(48)57(78)45(31-35-16-7-5-8-17-35)66-55(76)44(32-37-33-61-41-23-12-11-20-38(37)41)65-52(73)34(2)62-54(75)43(64-53(74)36-18-9-6-10-19-36)24-13-21-40(59)39-27-28-46(71(80)81)50-49(39)67-82-68-50/h5-12,16-20,23,27-28,33-34,40,42-45,47-48,61H,3-4,13-15,21-22,24-26,29-32,59H2,1-2H3,(H2,60,72)(H,62,75)(H,63,77)(H,64,74)(H,65,73)(H,66,76)/t34-,40?,42-,43-,44-,45-,47-,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469870
(CHEMBL275499)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(N)c1ccc([N+]([O-])=O)c2nonc12)C(N)=O Show InChI InChI=1S/C55H63N13O11/c1-3-4-20-38(48(57)69)60-52(73)42-22-13-26-66(42)55(76)43-23-14-27-67(43)54(75)40(28-32-15-7-5-8-16-32)62-51(72)39(29-34-30-58-37-21-12-11-19-35(34)37)61-49(70)31(2)59-53(74)47(63-50(71)33-17-9-6-10-18-33)44(56)36-24-25-41(68(77)78)46-45(36)64-79-65-46/h5-12,15-19,21,24-25,30-31,38-40,42-44,47,58H,3-4,13-14,20,22-23,26-29,56H2,1-2H3,(H2,57,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,71)/t31-,38-,39-,40-,42-,43-,44?,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469868
(CHEMBL413205)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)C(\S)=N\c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C73H79N11O13S/c1-3-4-22-55(63(75)87)79-68(92)59-25-14-33-83(59)71(94)60-26-15-34-84(60)70(93)58(35-42-16-7-5-8-17-42)82-67(91)57(36-44-40-76-54-23-12-11-20-48(44)54)81-64(88)41(2)77-66(90)56(80-65(89)43-18-9-6-10-19-43)24-13-21-53(74)69(98)78-45-27-30-50-49(37-45)72(95)97-73(50)51-31-28-46(85)38-61(51)96-62-39-47(86)29-32-52(62)73/h5-12,16-20,23,27-32,37-41,53,55-60,76,85-86H,3-4,13-15,21-22,24-26,33-36,74H2,1-2H3,(H2,75,87)(H,77,90)(H,78,98)(H,79,92)(H,80,89)(H,81,88)(H,82,91)/t41-,53?,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469871
(CHEMBL386783)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc([N+]([O-])=O)c2nonc12)C(N)=O Show InChI InChI=1S/C48H58N12O10/c1-4-5-16-34(42(49)61)53-46(65)38-18-11-22-58(38)48(67)39-19-12-23-59(39)47(66)36(24-29-13-7-6-8-14-29)55-45(64)35(25-30-26-50-32-17-10-9-15-31(30)32)54-44(63)28(3)52-43(62)27(2)51-33-20-21-37(60(68)69)41-40(33)56-70-57-41/h6-10,13-15,17,20-21,26-28,34-36,38-39,50-51H,4-5,11-12,16,18-19,22-25H2,1-3H3,(H2,49,61)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t27-,28-,34-,35-,36-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50469873
(CHEMBL411905)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)\N=C(\S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O Show InChI InChI=1S/C63H68N10O12S/c1-4-5-16-47(54(64)76)69-58(80)50-18-11-26-72(50)60(82)51-19-12-27-73(51)59(81)49(28-36-13-7-6-8-14-36)71-57(79)48(29-37-33-65-46-17-10-9-15-41(37)46)70-56(78)34(2)66-55(77)35(3)67-62(86)68-38-20-23-43-42(30-38)61(83)85-63(43)44-24-21-39(74)31-52(44)84-53-32-40(75)22-25-45(53)63/h6-10,13-15,17,20-25,30-35,47-51,65,74-75H,4-5,11-12,16,18-19,26-29H2,1-3H3,(H2,64,76)(H,66,77)(H,69,80)(H,70,78)(H,71,79)(H2,67,68,86)/t34-,35-,47-,48-,49-,50-,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Institute for Molecular Biology
Curated by ChEMBL
| Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand |
J Med Chem 37: 1991-5 (1994)
Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10 |
More data for this
Ligand-Target Pair | |
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