Found 7 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 |
|---|
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281634
(3-{(R)-2-Amino-2-[(R)-2-(3-carboxy-propionylamino)...)Show SMILES C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:30.35,1.0,wD:1.1,TLB:16:11:19:15.17.14,16:15:10.11.12:19,THB:9:10:19:15.17.14,14:13:10:15.17.16,14:15:10:13.12.19,(2.53,-5.38,;2.53,-3.85,;1.17,-4.57,;2.6,-2.31,;1.29,-1.47,;-.16,-2.01,;-1.11,-.84,;-2.46,-1.57,;-2.49,-3.1,;-3.77,-.78,;-5.12,-1.52,;-5.28,-2.91,;-6.8,-3.17,;-8.17,-2.48,;-9.27,-3.57,;-7.75,-3.24,;-6.4,-3.99,;-7.61,-1.7,;-6.43,-.73,;-7.94,-.96,;-.27,.47,;-.69,1.95,;.4,3.03,;1.9,2.63,;2.29,1.17,;1.2,.07,;3.83,-4.67,;3.76,-6.22,;5.21,-3.96,;6.49,-4.78,;7.86,-4.06,;9.17,-4.89,;10.52,-4.17,;10.59,-2.63,;11.82,-5,;13.18,-4.29,;14.48,-5.1,;15.86,-4.39,;14.48,-6.64,;7.91,-2.54,;9.24,-1.72,;9.19,-.17,;7.84,.54,;6.53,-.28,;6.58,-1.79,)| Show InChI InChI=1S/C35H42N4O6/c1-35(36,33(43)37-19-28(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42)18-26-20-39(29-10-6-5-9-27(26)29)34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21/h2-10,20-22,24-25,28,32H,11-19,36H2,1H3,(H,37,43)(H,38,40)(H,41,42)/t21?,22?,24?,25?,28-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50281632
((2S)-1-{(2S)-2-[(lambda~4~-sulfanylmethyl)amino]pr...)Show InChI InChI=1S/C9H16N2O3S/c1-6(10-5-15)8(12)11-4-2-3-7(11)9(13)14/h6-7,10,15H,2-5H2,1H3,(H,13,14)/t6-,7-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Angiotensin I converting enzyme |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50281633
(3-[(R)-2-Amino-2-((S)-1-benzyl-2-carboxy-ethylcarb...)Show SMILES C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:29.33,1.1,TLB:12:13:10.11.16:17,9:10:17:13.19.14,THB:12:11:17:13.19.14,14:15:10:13.12.19,14:13:10:15.16.17,(17.69,-2.7,;17.7,-1.17,;16.35,-1.89,;17.77,.37,;16.46,1.21,;15.02,.67,;14.06,1.84,;12.71,1.11,;12.69,-.4,;11.41,1.9,;10.05,1.16,;8.75,1.95,;7.23,1.72,;7,.2,;5.91,-.89,;7.42,-.56,;7.56,.98,;8.77,-1.31,;9.89,-.23,;8.38,-.49,;14.9,3.15,;14.48,4.63,;15.58,5.71,;17.07,5.31,;17.47,3.85,;16.37,2.75,;19,-1.99,;18.93,-3.54,;20.38,-1.28,;21.66,-2.1,;23.03,-1.38,;24.32,-2.2,;25.69,-1.48,;24.26,-3.74,;21.65,-4.65,;22.94,-5.48,;24.3,-4.76,;25.6,-5.57,;25.55,-7.12,;24.18,-7.82,;22.87,-7.02,)| Show InChI InChI=1S/C33H39N3O5/c1-33(34,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)18-25-19-36(28-10-6-5-9-27(25)28)32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30H,11-18,34H2,1H3,(H,35,39)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against CCK-A receptor |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50027353
(CHEMBL216386 | Glu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C53H78N14O13/c1-3-29(2)43(51(78)66-25-9-16-39(66)50(77)67-26-10-17-40(67)52(79)80)63-45(72)34(19-20-41(55)68)60-46(73)37-14-7-23-64(37)48(75)35(13-6-22-58-53(56)57)61-47(74)38-15-8-24-65(38)49(76)36(62-44(71)32(54)18-21-42(69)70)27-30-28-59-33-12-5-4-11-31(30)33/h4-5,11-12,28-29,32,34-40,43,59H,3,6-10,13-27,54H2,1-2H3,(H2,55,68)(H,60,73)(H,61,74)(H,62,71)(H,63,72)(H,69,70)(H,79,80)(H4,56,57,58)/t29-,32-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Angiotensin I converting enzyme |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50020390
((2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbox...)Show InChI InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Angiotensin I converting enzyme |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50024320
(CHEMBL32301 | [(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-21(14-17-15-27-19-12-8-7-11-18(17)19)23(31)28-20(22(26)30)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14H2,1-3H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
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