Found 11 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)) | BDBM50048413
(CHEMBL2370064)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 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
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
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50048411
(CHEMBL3360196)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(CCNc1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C56H65N13O11/c1-3-4-20-40(49(57)70)61-54(75)45-22-13-28-67(45)56(77)46-23-14-29-68(46)55(76)43(30-34-15-7-5-8-16-34)64-53(74)42(31-36-32-59-38-21-12-11-19-37(36)38)63-50(71)33(2)60-52(73)41(62-51(72)35-17-9-6-10-18-35)26-27-58-39-24-25-44(69(78)79)48-47(39)65-80-66-48/h5-12,15-19,21,24-25,32-33,40-43,45-46,58-59H,3-4,13-14,20,22-23,26-31H2,1-2H3,(H2,57,70)(H,60,73)(H,61,75)(H,62,72)(H,63,71)(H,64,74)/t33-,40-,41?,42+,43-,45-,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50048410
(CHEMBL3360197)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](CCCNc1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C57H67N13O11/c1-3-4-21-41(50(58)71)62-55(76)46-24-14-29-68(46)57(78)47-25-15-30-69(47)56(77)44(31-35-16-7-5-8-17-35)65-54(75)43(32-37-33-60-39-22-12-11-20-38(37)39)64-51(72)34(2)61-53(74)42(63-52(73)36-18-9-6-10-19-36)23-13-28-59-40-26-27-45(70(79)80)49-48(40)66-81-67-49/h5-12,16-20,22,26-27,33-34,41-44,46-47,59-60H,3-4,13-15,21,23-25,28-32H2,1-2H3,(H2,58,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)/t34-,41-,42-,43+,44-,46-,47+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50048409
(CHEMBL3360198)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNc1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C62H71N13O11/c1-3-4-26-46(55(63)76)67-61(82)52-29-18-33-74(52)62(83)50(35-40-21-10-6-11-22-40)71-59(80)48(34-39-19-8-5-9-20-39)70-60(81)49(36-42-37-65-44-27-15-14-25-43(42)44)69-56(77)38(2)66-58(79)47(68-57(78)41-23-12-7-13-24-41)28-16-17-32-64-45-30-31-51(75(84)85)54-53(45)72-86-73-54/h5-15,19-25,27,30-31,37-38,46-50,52,64-65H,3-4,16-18,26,28-29,32-36H2,1-2H3,(H2,63,76)(H,66,79)(H,67,82)(H,68,78)(H,69,77)(H,70,81)(H,71,80)/t38-,46-,47-,48-,49+,50+,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50048408
(CHEMBL3360199)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](CCCCNCC(=O)Nc1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C60H72N14O12/c1-3-4-22-43(53(61)76)66-58(81)48-25-15-30-72(48)60(83)49-26-16-31-73(49)59(82)46(32-37-17-7-5-8-18-37)69-57(80)45(33-39-34-63-41-23-12-11-21-40(39)41)68-54(77)36(2)64-56(79)44(67-55(78)38-19-9-6-10-20-38)24-13-14-29-62-35-50(75)65-42-27-28-47(74(84)85)52-51(42)70-86-71-52/h5-12,17-21,23,27-28,34,36,43-46,48-49,62-63H,3-4,13-16,22,24-26,29-33,35H2,1-2H3,(H2,61,76)(H,64,79)(H,65,75)(H,66,81)(H,67,78)(H,68,77)(H,69,80)/t36-,43-,44-,45+,46-,48-,49+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50048406
(CHEMBL3360201)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](Cc1cnc[nH]1)Nc1ccc([N+]([O-])=O)c2nonc12)[C@@H](C)O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C56H81N17O17S/c1-28(2)20-36(50(81)64-34(48(58)79)17-19-91-6)63-42(76)25-60-55(86)44(29(3)4)69-53(84)37(21-31-12-8-7-9-13-31)66-54(85)40(26-74)68-52(83)39(23-43(77)78)67-56(87)45(30(5)75)70-49(80)35(14-10-11-18-57)65-51(82)38(22-32-24-59-27-61-32)62-33-15-16-41(73(88)89)47-46(33)71-90-72-47/h7-9,12-13,15-16,24,27-30,34-40,44-45,62,74-75H,10-11,14,17-23,25-26,57H2,1-6H3,(H2,58,79)(H,59,61)(H,60,86)(H,63,76)(H,64,81)(H,65,82)(H,66,85)(H,67,87)(H,68,83)(H,69,84)(H,70,80)(H,77,78)/t30-,34+,35+,36+,37+,38+,39+,40+,44+,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50048407
(CHEMBL3360200)Show SMILES CCCC[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)Nc1ccc([N+]([O-])=O)c2nonc12)C(C)C)C(N)=O |r| Show InChI InChI=1S/C41H57N11O13/c1-6-7-13-25(36(42)57)46-37(58)26(16-21(2)3)45-31(54)19-43-41(62)33(22(4)5)49-39(60)27(17-23-11-9-8-10-12-23)47-40(61)29(20-53)48-38(59)28(18-32(55)56)44-24-14-15-30(52(63)64)35-34(24)50-65-51-35/h8-12,14-15,21-22,25-29,33,44,53H,6-7,13,16-20H2,1-5H3,(H2,42,57)(H,43,62)(H,45,54)(H,46,58)(H,47,61)(H,48,59)(H,49,60)(H,55,56)/t25-,26-,27-,28-,29-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50048405
(CHEMBL3360202)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(CCNc1ccc([N+]([O-])=O)c2nonc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C42H58N12O14/c1-5-6-12-26(37(43)60)48-39(62)28(17-22(2)3)47-33(57)20-45-38(61)27(15-16-44-25-13-14-32(54(66)67)36-35(25)52-68-53-36)49-40(63)29(18-24-10-8-7-9-11-24)50-42(65)31(21-55)51-41(64)30(19-34(58)59)46-23(4)56/h7-11,13-14,22,26-31,44,55H,5-6,12,15-21H2,1-4H3,(H2,43,60)(H,45,61)(H,46,56)(H,47,57)(H,48,62)(H,49,63)(H,50,65)(H,51,64)(H,58,59)/t26-,27?,28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50048415
(CHEMBL3360194)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSSC[C@H](NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C92H143N35O19S2/c1-50(128)114-59(21-8-38-108-87(97)98)73(132)116-63(24-11-41-111-90(103)104)77(136)123-68(47-54-17-6-16-53-15-2-3-18-57(53)54)81(140)126-70-49-148-147-48-69(82(141)115-58(72(94)131)20-7-37-107-86(95)96)125-78(137)64(26-13-43-113-92(106)146)118-74(133)60(22-9-39-109-88(99)100)120-80(139)67(46-52-30-34-56(130)35-31-52)124-84(143)71-27-14-44-127(71)85(144)65(19-4-5-36-93)121-76(135)62(23-10-40-110-89(101)102)117-75(134)61(25-12-42-112-91(105)145)119-79(138)66(122-83(70)142)45-51-28-32-55(129)33-29-51/h2-3,6,15-18,28-35,58-71,129-130H,4-5,7-14,19-27,36-49,93H2,1H3,(H2,94,131)(H,114,128)(H,115,141)(H,116,132)(H,117,134)(H,118,133)(H,119,138)(H,120,139)(H,121,135)(H,122,142)(H,123,136)(H,124,143)(H,125,137)(H,126,140)(H4,95,96,107)(H4,97,98,108)(H4,99,100,109)(H4,101,102,110)(H4,103,104,111)(H3,105,112,145)(H3,106,113,146)/t58-,59-,60-,61?,62-,63-,64?,65+,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50048414
(CHEMBL3360195)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C91H138N34O21S2/c1-48(126)112-57(18-6-36-106-86(95)96)72(132)114-61(21-9-39-109-89(101)102)76(136)121-66(45-52-15-4-14-51-13-2-3-16-55(51)52)80(140)124-68-47-148-147-46-67(81(141)113-56(71(92)131)17-5-35-105-85(93)94)123-77(137)62(23-11-41-111-91(104)146)116-73(133)58(19-7-37-107-87(97)98)118-79(139)65(44-50-27-31-54(128)32-28-50)122-83(143)69-24-12-42-125(69)84(144)63(33-34-70(129)130)119-75(135)60(20-8-38-108-88(99)100)115-74(134)59(22-10-40-110-90(103)145)117-78(138)64(120-82(68)142)43-49-25-29-53(127)30-26-49/h2-4,13-16,25-32,56-69,127-128H,5-12,17-24,33-47H2,1H3,(H2,92,131)(H,112,126)(H,113,141)(H,114,132)(H,115,134)(H,116,133)(H,117,138)(H,118,139)(H,119,135)(H,120,142)(H,121,136)(H,122,143)(H,123,137)(H,124,140)(H,129,130)(H4,93,94,105)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H3,103,110,145)(H3,104,111,146)/t56-,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cells |
J Med Chem 57: 8187-203 (2014)
Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5 |
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Ligand-Target Pair | |
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