Found 137 hits with Last Name = 'chan' and Initial = 'km' 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 |
|---|
D(4) dopamine receptor
(RAT) | BDBM50051563
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1 | Reactome pathway
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 279: 1392-403 (1996)
BindingDB Entry DOI: 10.7270/Q2SQ8XX9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
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| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50051563
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1 | PDB
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| 10.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 279: 1392-403 (1996)
BindingDB Entry DOI: 10.7270/Q2SQ8XX9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
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| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 pre-incubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
NCI pathway
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| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563613
(CHEMBL4781945)Show SMILES ClCc1cc(=O)oc2cc(OCc3cn(Cc4ccc(cc4)C#N)nn3)ccc12 | PDB
MMDB
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| Article
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 6 hrs at 24 degC by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563612
(CHEMBL4777500)Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SC(=O)c4ccccc4)o3)ccc12 | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
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| DrugBank
PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 pre-incubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563594
(CHEMBL4746620)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(Br)c4)ccc23)CC1 | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
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| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563607
(CHEMBL4793433)Show SMILES [O-][N+](=O)c1ccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)cc1 | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563602
(CHEMBL4786964)Show SMILES Brc1ccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563613
(CHEMBL4781945)Show SMILES ClCc1cc(=O)oc2cc(OCc3cn(Cc4ccc(cc4)C#N)nn3)ccc12 | PDB
MMDB
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| Article
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| 624 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 6 hrs at 24 degC by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563606
(CHEMBL4783964)Show SMILES [O-][N+](=O)c1ccccc1COc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563609
(CHEMBL4751864)Show SMILES Cc1cc(C)cc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563605
(CHEMBL4800433)Show SMILES Fc1ccccc1COc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563603
(CHEMBL4760153)Show SMILES Brc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563592
(CHEMBL4781169)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4)ccc23)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563593
(CHEMBL4742237)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(Br)cc4)ccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563605
(CHEMBL4800433)Show SMILES Fc1ccccc1COc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563606
(CHEMBL4783964)Show SMILES [O-][N+](=O)c1ccccc1COc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50051563
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1 | PDB
Reactome pathway
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| 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 279: 1392-403 (1996)
BindingDB Entry DOI: 10.7270/Q2SQ8XX9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563611
(CHEMBL4796382)Show SMILES COc1ccc(CSc2nnc(COc3ccc4c(C)cc(=O)oc4c3)o2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563596
(CHEMBL4782287)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4F)ccc23)CC1 | PDB
MMDB
Reactome pathway
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| PC cid
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| Article
PubMed
| 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563599
(CHEMBL4745846)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(OC)c4)ccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
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UniChem
| Article
PubMed
| 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM50051563
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1 | PDB
Reactome pathway
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Similars
| PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 279: 1392-403 (1996)
BindingDB Entry DOI: 10.7270/Q2SQ8XX9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563598
(CHEMBL4750586)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(cc4)[N+]([O-])=O)ccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
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DrugBank
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50051563
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1 | KEGG
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Similars
| PubMed
| 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 279: 1392-403 (1996)
BindingDB Entry DOI: 10.7270/Q2SQ8XX9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563607
(CHEMBL4793433)Show SMILES [O-][N+](=O)c1ccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563593
(CHEMBL4742237)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(Br)cc4)ccc23)CC1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563594
(CHEMBL4746620)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(Br)c4)ccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563596
(CHEMBL4782287)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4F)ccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563602
(CHEMBL4786964)Show SMILES Brc1ccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50051563
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1 | PDB
KEGG
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Similars
| PubMed
| 4.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 279: 1392-403 (1996)
BindingDB Entry DOI: 10.7270/Q2SQ8XX9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563600
(CHEMBL4798303)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cc(C)cc(C)c4)ccc23)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563603
(CHEMBL4760153)Show SMILES Brc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563610
(CHEMBL4780710)Show SMILES Fc1ccc(F)c(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563600
(CHEMBL4798303)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cc(C)cc(C)c4)ccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563595
(CHEMBL4750666)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4cccc(Cl)c4)ccc23)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563604
(CHEMBL4744108)Show SMILES Clc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563598
(CHEMBL4750586)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccc(cc4)[N+]([O-])=O)ccc23)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563601
(CHEMBL4784235)Show SMILES O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccccc3)cc2o1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563608
(CHEMBL4741561)Show SMILES COc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50051563
(4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1 | PDB
Reactome pathway
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| Purchase
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Similars
| PubMed
| 5.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 279: 1392-403 (1996)
BindingDB Entry DOI: 10.7270/Q2SQ8XX9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563597
(CHEMBL4740913)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4[N+]([O-])=O)ccc23)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563597
(CHEMBL4740913)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4[N+]([O-])=O)ccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563610
(CHEMBL4780710)Show SMILES Fc1ccc(F)c(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50563592
(CHEMBL4781169)Show SMILES COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(OCc4ccccc4)ccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563608
(CHEMBL4741561)Show SMILES COc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563604
(CHEMBL4744108)Show SMILES Clc1cccc(COc2ccc3c(CN4CCN(Cc5ccccc5)CC4)cc(=O)oc3c2)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50563601
(CHEMBL4784235)Show SMILES O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc(OCc3ccccc3)cc2o1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 6.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127877
BindingDB Entry DOI: 10.7270/Q29Z98MV |
More data for this
Ligand-Target Pair | |
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