Found 1319 hits with Last Name = 'roe' and Initial = 'mb' 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 |
|---|
Progesterone receptor
(Homo sapiens (Human)) | BDBM50243440
((-)-7,9-difluoro-5-(6-methyl-7-oxa-bicyclo[4.1.0]h...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)cc(F)c4O[C@@H]([C@H]4CCC[C@@]5(C)O[C@@H]45)c3c12 |r,t:1| Show InChI InChI=1S/C26H27F2NO2/c1-13-12-25(2,3)29-19-8-7-15-17-10-14(27)11-18(28)22(17)30-23(21(15)20(13)19)16-6-5-9-26(4)24(16)31-26/h7-8,10-12,16,23-24,29H,5-6,9H2,1-4H3/t16-,23+,24+,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
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 |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human progesterone receptor |
J Med Chem 51: 3696-9 (2008)
Article DOI: 10.1021/jm8004256
BindingDB Entry DOI: 10.7270/Q2H131VC |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50067678
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human progesterone receptor |
J Med Chem 51: 3696-9 (2008)
Article DOI: 10.1021/jm8004256
BindingDB Entry DOI: 10.7270/Q2H131VC |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM408717
( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...)Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM8903
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human progesterone receptor |
J Med Chem 51: 3696-9 (2008)
Article DOI: 10.1021/jm8004256
BindingDB Entry DOI: 10.7270/Q2H131VC |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50243394
((+)-(S)-7,9-difluoro-2,2,4-trimethyl-5-((S)-3-meth...)Show SMILES CC1=C[C@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27| Show InChI InChI=1S/C26H27F2NO/c1-14-6-5-7-16(10-14)24-23-18(19-11-17(27)12-20(28)25(19)30-24)8-9-21-22(23)15(2)13-26(3,4)29-21/h8-13,16,24,29H,5-7H2,1-4H3/t16-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human progesterone receptor |
J Med Chem 51: 3696-9 (2008)
Article DOI: 10.1021/jm8004256
BindingDB Entry DOI: 10.7270/Q2H131VC |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50243394
((+)-(S)-7,9-difluoro-2,2,4-trimethyl-5-((S)-3-meth...)Show SMILES CC1=C[C@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27| Show InChI InChI=1S/C26H27F2NO/c1-14-6-5-7-16(10-14)24-23-18(19-11-17(27)12-20(28)25(19)30-24)8-9-21-22(23)15(2)13-26(3,4)29-21/h8-13,16,24,29H,5-7H2,1-4H3/t16-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human progesterone receptor |
J Med Chem 51: 3696-9 (2008)
Article DOI: 10.1021/jm8004256
BindingDB Entry DOI: 10.7270/Q2H131VC |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50243346
(CHEMBL510305 | rac, syn-5-(cyclohex-2-en-1-yl)-7,9...)Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)cc(F)c4O[C@@H]([C@H]4CCCC=C4)c3c12 |r,c:26,t:1| Show InChI InChI=1S/C25H25F2NO/c1-14-13-25(2,3)28-20-10-9-17-18-11-16(26)12-19(27)24(18)29-23(22(17)21(14)20)15-7-5-4-6-8-15/h5,7,9-13,15,23,28H,4,6,8H2,1-3H3/t15-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human progesterone receptor |
J Med Chem 51: 3696-9 (2008)
Article DOI: 10.1021/jm8004256
BindingDB Entry DOI: 10.7270/Q2H131VC |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50243395
(CHEMBL510373 | rac, anti-7,9-difluoro-5-(3-methylc...)Show SMILES CC1=C[C@@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27| Show InChI InChI=1S/C26H27F2NO/c1-14-6-5-7-16(10-14)24-23-18(19-11-17(27)12-20(28)25(19)30-24)8-9-21-22(23)15(2)13-26(3,4)29-21/h8-13,16,24,29H,5-7H2,1-4H3/t16-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human progesterone receptor |
J Med Chem 51: 3696-9 (2008)
Article DOI: 10.1021/jm8004256
BindingDB Entry DOI: 10.7270/Q2H131VC |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50246925
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methyl...)Show SMILES Cc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vantia Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human vasopressin V2 receptor expressed in HEK293 cells by radioligand binding assay |
J Med Chem 51: 8124-34 (2008)
Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50243394
((+)-(S)-7,9-difluoro-2,2,4-trimethyl-5-((S)-3-meth...)Show SMILES CC1=C[C@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27| Show InChI InChI=1S/C26H27F2NO/c1-14-6-5-7-16(10-14)24-23-18(19-11-17(27)12-20(28)25(19)30-24)8-9-21-22(23)15(2)13-26(3,4)29-21/h8-13,16,24,29H,5-7H2,1-4H3/t16-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity at human progesterone receptor |
J Med Chem 51: 3696-9 (2008)
Article DOI: 10.1021/jm8004256
BindingDB Entry DOI: 10.7270/Q2H131VC |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50246575
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r| Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vantia Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human vasopressin V2 receptor expressed in HEK293 cells by radioligand binding assay |
J Med Chem 51: 8124-34 (2008)
Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50246575
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r| Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vantia Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to oxytocin receptor (unknown origin) |
J Med Chem 51: 8124-34 (2008)
Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50246925
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methyl...)Show SMILES Cc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vantia Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to oxytocin receptor (unknown origin) |
J Med Chem 51: 8124-34 (2008)
Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50246890
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]benzoyl)-...)Show SMILES Fc1cccc(F)c1NC(=O)NCc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H23F2N3O2/c26-20-8-5-9-21(27)23(20)29-25(32)28-16-17-11-13-19(14-12-17)24(31)30-15-4-3-7-18-6-1-2-10-22(18)30/h1-2,5-6,8-14H,3-4,7,15-16H2,(H2,28,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vantia Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to oxytocin receptor (unknown origin) |
J Med Chem 51: 8124-34 (2008)
Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50591423
(CHEMBL5189653)Show SMILES Nc1cccc2cc(CNC(=O)c3cnn(Cc4ccc(Cn5ccccc5=O)cc4)c3)ccc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652462
(5-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ylmet...)Show SMILES Nc1nccc2c(NCc3cnc(OCC4CCn5ccnc5C4)nc3)cccc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM652569
(N5-((4-ethyl-6-(3-(trifluoromethyl)-5,6-dihydro-[1...)Show SMILES CCc1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652716
((R*)-N5-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyri...)Show SMILES Nc1nccc2c(NCc3ccnc(OC[C@@H]4CCn5ccnc5C4)c3)cccc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652715
((S*)-N5-((2-((5,6,7,8-tetrahydroimidazo[1,2-a]pyri...)Show SMILES Nc1nccc2c(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)cccc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652713
(3-[(4-{[(1-amino-4-chloroisoquinolin-6-yl)amino]me...)Show SMILES Nc1ncc(Cl)c2cc(NCc3ccnc(NCCC(=O)N4CCCC4)c3)ccc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652690
(4-chloro-6-N-{[2-({2-methyl-5H,6H,7H,8H-imidazo[1,...)Show SMILES Cc1cn2CCC(COc3cc(CNc4ccc5c(N)ncc(Cl)c5c4)ccn3)Cc2n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652688
(4-fluoro-6-N-[(2-{5H,6H,7H,8H-imidazo[1,2-a]pyridi...)Show SMILES Nc1ncc(F)c2cc(NCc3ccnc(OCC4CCn5ccnc5C4)c3)ccc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652684
(4-{[(4-{[(1-aminoisoquinolin-5-yl)amino]methyl}pyr...)Show SMILES Cn1ccc(COc2cc(CNc3cccc4c(N)nccc34)ccn2)cc1=O | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652682
(5-N-({2-[(1-isopropylpiperidin-4-yl)methoxy]pyridi...)Show SMILES CC(C)N1CCC(COc2cc(CNc3cccc4c(N)nccc34)ccn2)CC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM652764
(N5-((3-methyl-5-(3-(trifluoromethyl)-5,6-dihydro-[...)Show SMILES Cc1cc(cnc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM652744
(8-methyl-N-((2-((1-methylpiperidin-4-yl)methoxy)py...) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM652566
((S*)-N5-((4-methyl-6-(8-methyl-3-(trifluoromethyl)...)Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM652564
(N5-((4-methyl-6-(8-methyl-3-(trifluoromethyl)-5,6-...)Show SMILES CC1N(CCn2c1nnc2C(F)(F)F)c1cc(C)c(CNc2cccc3c(N)nccc23)cn1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM652548
(N5-((4-methyl-6-(3-(trifluoromethyl)-5,6-dihydro-[...)Show SMILES Cc1cc(ncc1CNc1cccc2c(N)nccc12)N1CCn2c(C1)nnc2C(F)(F)F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652680
(N5-((2-((3-isopropyl-3-azabicyclo[3.2.1]octan-8-yl...)Show SMILES CC(C)N1CC2CCC(C1)C2COc1cc(CNc2cccc3c(N)nccc23)ccn1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM652573
(2-chloro-N-((4-methyl-6-(3-(trifluoromethyl)-5,6-d...)Show SMILES Cc1cc(ncc1CNc1ccnc2[nH]c(Cl)cc12)N1CCn2c(C1)nnc2C(F)(F)F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM408768
(N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...)Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N Show InChI InChI=1S/C28H26FN5O4/c1-37-18-24-23(28(36)31-14-22-21(13-30)10-11-25(38-2)27(22)29)17-34(32-24)16-20-8-6-19(7-9-20)15-33-12-4-3-5-26(33)35/h3-12,17H,14-16,18H2,1-2H3,(H,31,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM652613
(N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)...) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652520
(US20240059691, Example 1248 | methyl 4-(((6-(((1-m...)Show SMILES COC(=O)c1c[nH]c2nccc(NCc3ccc(NCC4CCN(C)CC4)nc3)c12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM652428
(N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-y...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM652428
(N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-y...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM652428
(N-({6-[(1-methylpiperidin-4-yl)methoxy]pyridin-3-y...) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM652432
(6-N-({6-[(1-isopropylpiperidin-4-yl)methoxy]pyridi...)Show SMILES CC(C)N1CCC(COc2ccc(CNc3ccc4c(N)nccc4c3)cn2)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM652433
(6-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyrimidin...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652744
(8-methyl-N-((2-((1-methylpiperidin-4-yl)methoxy)py...) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM263248
(1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1h-pyra...)Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2)c1 Show InChI InChI=1S/C26H25N7O/c1-18-11-30-32(14-18)15-19-2-4-20(5-3-19)16-33-17-23(13-31-33)26(34)29-12-21-6-7-24-22(10-21)8-9-28-25(24)27/h2-11,13-14,17H,12,15-16H2,1H3,(H2,27,28)(H,29,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00921
BindingDB Entry DOI: 10.7270/Q2HT2TBQ |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM652613
(N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM652613
(N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652613
(N-[(4-{[(1-methylpiperidin-4-yl)oxy]methyl}phenyl)...) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM652647
(6-N-({2-[(1-methylpiperidin-4-yl)methoxy]pyridin-4...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM652646
(5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]...) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM652646
(5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM652646
(5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM652646
(5-N-[[2-[(1-methyl-4-piperidyl)methoxy]-4-pyridyl]...) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM652643
(6-N-({1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4...) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Search and Browse
