Found 2022 hits of ic50 data for polymerid = 8441 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kallikrein-1
(Homo sapiens (Human)) | BDBM619946
(US20230295157, Example 270)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@@H](CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)ccc3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619925
(N-(4-(2-((3S,8a*R)-7-(3-Chloro-2-fluoro-6-(1H-tetr...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@H](CC[C@H]2c2nc(c[nH]2)-c2ccncc2NC(=O)C2CC2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM620044
(N-(2-(2-((3S,8aR)-7-(3-chloro-2-fluoro-6-(1H-tetra...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@H](CC[C@H]2c2nc(c[nH]2)-c2ccccc2NC(=O)C2CC2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619988
(5-(2-((3S)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-y...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2C(CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)[nH]c3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619989
((3S)-3-(5-(3-Amino-1H-indazol-6-yl)-1H-imidazol-2-...)Show SMILES Nc1n[nH]c2cc(ccc12)-c1cnc([nH]1)[C@@H]1CCC2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:23| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619910
(US20230295157, Example 234)Show SMILES NC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:20| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619933
(N-[2-[2-[(3S,8aR)-7-[3-Chloro-2-fluoro-6-(tetrazol...)Show SMILES COc1ccc(NC(=O)C2CC2)c(c1)-c1c[nH]c(n1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:27| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619926
(N-(4-(24(3S,8aS*)-7-(3-choro-2-fluoro-6-(1H-tetraz...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@@H](CC[C@H]2c2nc(c[nH]2)-c2ccncc2NC(=O)C2CC2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619914
(5-(2-((3*S,8aR)-7-(3-Chloro-2-fluoro-6-(1H-tetrazo...)Show SMILES NC(=O)c1ccc(s1)-c1cnc([nH]1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:20| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619894
(4-(5-Chloro-2-((3S)-7-(3-chloro-2-fluoro-6-(1H-tet...)Show SMILES NC(=O)c1cc(cs1)-c1nc([nH]c1Cl)[C@@H]1CCC2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:21| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM345078
(2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan...)Show SMILES COc1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C29H22ClN3O5/c1-38-27-15-26(33(37)17-25(27)23-14-21(30)10-7-20(23)16-31)24(13-18-5-3-2-4-6-18)28(34)32-22-11-8-19(9-12-22)29(35)36/h2-12,14-15,17,24H,13H2,1H3,(H,32,34)(H,35,36) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe... |
US Patent US9783530 (2017)
BindingDB Entry DOI: 10.7270/Q2N87CXK |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619937
(US20230295157, Example 261)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2C(CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)ccc3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619987
(6-(2-((3S)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-y...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2C(CC[C@H]2c2ncc([nH]2)-c2ccc3NC(=O)CCc3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619983
(N-(2-(2-((3S,8aR)-7-(3-Chloro-2-fluoro-6-(1H-tetra...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@H](CC[C@H]2c2ncc([nH]2)-c2ccccc2NC(=O)C2CC2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619968
(5-(2-((3S,8aS)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@@H](CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)[nH]c3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619887
(5-(5-Chloro-2-((3S,8aR)-7-(3-chloro-2-fluoro-6-(1H...)Show SMILES NC(=O)c1ccc(s1)-c1c[nH]c(n1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:20| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619934
((3S)-7-[3-Chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]...)Show SMILES CNc1n[nH]c2cc(ccc12)-c1cnc([nH]1)[C@@H]1CCC2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:24| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619957
(6-(2-((3S,8aR)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@H](CC[C@H]2c2ncc([nH]2)-c2ccc3NC(=O)CCc3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM620045
(N-(4-(2-((3S)-7-(3-chloro-2-fluoro-6-(1H-tetrazol-...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2C(CC[C@H]2c2nc(c[nH]2)-c2ccncc2NC(=O)C2CC2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619947
(US20230295157, Example 271)Show SMILES COc1ccc(NC(=O)C2CC2)c(c1)-c1c[nH]c(n1)[C@@H]1CC[C@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:27| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619941
(US20230295157, Example 265)Show SMILES CNc1n[nH]c2cc(ccc12)-c1cnc([nH]1)[C@@H]1CC[C@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:24| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619828
(6-[2-[(3S,8a*R)-7-[3-chloro-2-fluoro-6-[4-(trifluo...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@H](CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)ccc3c2)C1)-n1cc(nn1)C(F)(F)F |r,t:9| | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619973
(6-(2-((3S)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-y...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2C(CC[C@H]2c2ncc([nH]2)-c2ccc3NC(=O)OCc3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619810
((3S,8aR)-7-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)...)Show SMILES CNc1nccc(-c2cnc([nH]2)[C@@H]2CC[C@@H]3CC(=CC(=O)N23)c2c(F)c(Cl)ccc2-n2cnnn2)c1F |r,c:18| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619854
((3R,8aR)-7-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)...)Show SMILES OC1(CC1)c1cc(ccn1)-c1[nH]c(nc1Cl)[C@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1[N]1=NNN=C1 |r,c:24,43,t:40| | PDB
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AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619962
(5-(2-((3S,8aR)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@H](CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)[nH]c3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619953
(6-(2-((3S,8aR)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@H](CC[C@H]2c2ncc([nH]2)-c2ccc3NC(=O)OCc3c2)C1)-n1cnnn1 |r,t:9| | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619942
(US20230295157, Example 266)Show SMILES COc1ccc(-c2c[nH]c(n2)[C@@H]2CC[C@@H]3CC(=CC(=O)N23)c2c(F)c(Cl)ccc2-n2cnnn2)c(NC(=O)C2CC2)c1 |r,c:17| | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM620047
((3S,8aR)-3-(5-(2-aminopyridin-4-yl)-4-chloro-1H-im...)Show SMILES Nc1cc(ccn1)-c1[nH]c(nc1Cl)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:20| | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM345057
(4-{[(2R)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C28H21ClN6O4/c29-21-9-13-25(34-17-30-32-33-34)23(15-21)20-8-12-26(35(39)16-20)24(14-18-4-2-1-3-5-18)27(36)31-22-10-6-19(7-11-22)28(37)38/h1-13,15-17,24H,14H2,(H,31,36)(H,37,38)/t24-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe... |
US Patent US9783530 (2017)
BindingDB Entry DOI: 10.7270/Q2N87CXK |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619956
(6-(2-((3S,8aS)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@@H](CC[C@H]2c2ncc([nH]2)-c2ccc3NC(=O)CCc3c2)C1)-n1cnnn1 |r,t:9| | PDB
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Kallikrein-1
(Homo sapiens (Human)) | BDBM619952
(N-(2-(2-((3S)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-...)Show SMILES COc1ccc(-c2c[nH]c(n2)[C@@H]2CCC3CC(=CC(=O)N23)c2c(F)c(Cl)ccc2-n2cnnn2)c(NC(=O)C2CC2)c1 |r,c:17| | PDB
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Kallikrein-1
(Homo sapiens (Human)) | BDBM619985
(6-(2-((3S)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-y...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2C(CC[C@H]2c2ncc([nH]2)-c2ccc3[nH]c(=O)oc3c2)C1)-n1cnnn1 |r,t:9| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM620063
((3S,8aR)-7-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)...)Show SMILES CCNc1nccc(-c2cnc([nH]2)[C@@H]2CC[C@@H]3CC(=CC(=O)N23)c2c(F)c(Cl)ccc2-n2cnnn2)c1F |r,c:19| | PDB
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Kallikrein-1
(Homo sapiens (Human)) | BDBM620005
(N-(2-(2-((3S)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-...)Show SMILES CC(C)C(=O)Nc1ccccc1-c1c[nH]c(n1)[C@@H]1CCC2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:24| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM620017
(Methyl (4-(2-((3S,8aR)-7-(3-chloro-2-fluoro-6-(1H-...)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:23| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619855
((3R,8aR)-7-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)...)Show SMILES OC1(CC1)c1cc(ccn1)-c1[nH]c(nc1F)[C@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1[N]1=NNN=C1 |r,c:24,43,t:40| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM620030
(Methyl (4-(2-((3S)-7-(3-chloro-2-fluoro-6-(1H-tetr...)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCC2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:23| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619924
(N-[2-[2-[(3S)-7-[3-Chloro-2-fluoro-6-(tetrazol-1-y...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2C(CC[C@H]2c2nc(c[nH]2)-c2sccc2NC(=O)C2CC2)C1)-n1cnnn1 |r,t:9| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619913
(3-(2-((3S,8aR)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol...)Show SMILES NC(=O)c1cccc(-c2cnc([nH]2)[C@@H]2CC[C@@H]3CC(=CC(=O)N23)c2c(F)c(Cl)ccc2-n2cnnn2)c1F |r,c:19| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619878
(5-(5-Chloro-2-((3S,8aS)-7-(3-chloro-2-fluoro-6-(4-...)Show SMILES NC(=O)c1ccc(s1)-c1nc([nH]c1Cl)[C@@H]1CC[C@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r,c:21| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM620049
(7-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)-3...)Show SMILES CC1=CCc2c1nccc2-c1cnc([nH]1)C1CCC2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |c:23,t:1| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619955
(N-(2-(2-((3S)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol-...)Show SMILES COc1ccc(NC(=O)C2CC2)c(c1)-c1c[nH]c(n1)[C@@H]1CCC2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:27| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619764
(US20230295157, Example 87)Show SMILES Fc1nc([nH]c1-c1ccnc(c1)-n1nccn1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:25| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619890
(4-(2-((3S,8aR)-7-(3-Chloro-2-fluoro-6-(1H-tetrazol...)Show SMILES NC(=O)c1scc(c1F)-c1c[nH]c(n1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:21| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619794
(6-(24(3*S,8a*R)-7-(3-chloro-2-fluoro-6-(1H-tetrazo...)Show SMILES Fc1c(Cl)ccc(c1C1=CC(=O)N2[C@H](CC[C@H]2c2ncc([nH]2)-c2ccc3NC(=O)OCc3c2F)C1)-n1cnnn1 |r,t:9| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619981
(N-(2-(2-((3S,8aR*)-7-(3-Chloro-2-fluoro-6-(1H-tetr...)Show SMILES CC(C)C(=O)Nc1ccccc1-c1cnc([nH]1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:24| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619759
(US20230295157, Example 81)Show SMILES Fc1nc([nH]c1-c1ccc2NC(=O)CCc2c1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F |r,c:25| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM619712
(US20230295157, Example 31)Show SMILES Fc1nc([nH]c1-c1ccnc(c1)-c1ccn[nH]1)[C@@H]1CC[C@@H]2CC(=CC(=O)N12)c1c(F)c(Cl)ccc1-n1cnnn1 |r,c:25| | PDB
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Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM345061
(2-{5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1- oxi...)Show SMILES Clc1ccc(c(c1)-c1ccc([nH+]c1)C(Cc1ccccc1)C(=O)Nc1ccc2cn[nH]c2c1)-n1cnnn1 | PDB
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| US Patent
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe... |
US Patent US9783530 (2017)
BindingDB Entry DOI: 10.7270/Q2N87CXK |
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Ligand-Target Pair | |
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