Found 73 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 |
|---|
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104147
(CHEMBL3593524)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(N)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O/c1-11-6-17(18(24)28)26-19(25-11)27-9-13-7-12(8-14(13)10-27)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H2,24,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104159
(CHEMBL3594229 | US10787453, Compound 66)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ccccc1C(F)(F)F)c1nc(C)cc(n1)C(=O)OC |r| Show InChI InChI=1S/C20H21F3N4O2/c1-12-7-16(18(28)29-2)25-19(24-12)27-10-13-8-26(9-14(13)11-27)17-6-4-3-5-15(17)20(21,22)23/h3-7,13-14H,8-11H2,1-2H3/t13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104179
(CHEMBL3594225)Show SMILES COC(=O)c1cc(C)nc(n1)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C19H20F3N3O2/c1-12-11-16(17(26)27-2)24-18(23-12)25-9-7-13(8-10-25)14-5-3-4-6-15(14)19(20,21)22/h3-6,11,13H,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104157
(CHEMBL3594231)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(=O)OC)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O2/c1-12-7-18(19(28)29-2)26-20(25-12)27-10-14-8-13(9-15(14)11-27)16-5-3-4-6-17(16)21(22,23)24/h3-7,13-15H,8-11H2,1-2H3/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104146
(CHEMBL3593525)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)-c1nnn[nH]1)c1ccccc1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104154
(CHEMBL3594234)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(cc(n1)C(F)(F)F)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H17F6N3O2/c21-19(22,23)14-4-2-1-3-13(14)10-5-11-8-29(9-12(11)6-10)18-27-15(17(30)31)7-16(28-18)20(24,25)26/h1-4,7,10-12H,5-6,8-9H2,(H,30,31)/t10-,11-,12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104177
(CHEMBL3594227)Show SMILES COC(=O)c1cc(C)nc(n1)N1CCN(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C18H19F3N4O2/c1-12-11-14(16(26)27-2)23-17(22-12)25-9-7-24(8-10-25)15-6-4-3-5-13(15)18(19,20)21/h3-6,11H,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104153
(CHEMBL3594235)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(OC)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O3/c1-29-17-8-16(18(27)28)24-19(25-17)26-9-12-6-11(7-13(12)10-26)14-4-2-3-5-15(14)20(21,22)23/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,27,28)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104156
(CHEMBL3594232)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104192
(CHEMBL3593526)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-18(20(27)28)25-19(7-12)26-10-14-8-13(9-15(14)11-26)16-4-2-3-5-17(16)21(22,23)24/h2-7,13-15H,8-11H2,1H3,(H,27,28)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50019040
(CHEMBL1230001)Show SMILES OC(=O)c1ccccc1NC(=O)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104155
(CHEMBL3594233)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nccc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)15-4-2-1-3-14(15)11-7-12-9-25(10-13(12)8-11)18-23-6-5-16(24-18)17(26)27/h1-6,11-13H,7-10H2,(H,26,27)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104186
(CHEMBL3593534)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cc(cnn1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)16-4-2-1-3-15(16)11-5-13-9-25(10-14(13)6-11)17-7-12(18(26)27)8-23-24-17/h1-4,7-8,11,13-14H,5-6,9-10H2,(H,26,27)/t11-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104185
(CHEMBL3593535)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C(O)=O)c(C)s1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N2O2S/c1-10-16(17(25)26)23-18(27-10)24-8-12-6-11(7-13(12)9-24)14-4-2-3-5-15(14)19(20,21)22/h2-5,11-13H,6-9H2,1H3,(H,25,26)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104180
(CHEMBL3593693)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cccnc1C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N4O2/c1-10-5-15(17(27)28)25-18(24-10)26-8-12-6-11(7-13(12)9-26)14-3-2-4-23-16(14)19(20,21)22/h2-5,11-13H,6-9H2,1H3,(H,27,28)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104184
(CHEMBL3593536)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N3O2/c1-10-4-17(18(28)29)26-19(25-10)27-8-12-5-11(6-13(12)9-27)15-7-14(21)2-3-16(15)20(22,23)24/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,28,29)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104178
(CHEMBL3594226)Show SMILES Cc1cc(nc(n1)N1CCC(CC1)c1ccccc1C(F)(F)F)C(O)=O Show InChI InChI=1S/C18H18F3N3O2/c1-11-10-15(16(25)26)23-17(22-11)24-8-6-12(7-9-24)13-4-2-3-5-14(13)18(19,20)21/h2-5,10,12H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104149
(CHEMBL3594239)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ncc(C(O)=O)c(C)n1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-16(18(27)28)8-24-19(25-11)26-9-13-6-12(7-14(13)10-26)15-4-2-3-5-17(15)20(21,22)23/h2-5,8,12-14H,6-7,9-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104156
(CHEMBL3594232)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104187
(CHEMBL3593532)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ncccc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F3N2O2/c21-20(22,23)17-6-2-1-4-15(17)12-8-13-10-25(11-14(13)9-12)18-16(19(26)27)5-3-7-24-18/h1-7,12-14H,8-11H2,(H,26,27)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104184
(CHEMBL3593536)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N3O2/c1-10-4-17(18(28)29)26-19(25-10)27-8-12-5-11(6-13(12)9-27)15-7-14(21)2-3-16(15)20(22,23)24/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,28,29)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104151
(CHEMBL3594237)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)c(C)c(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O2/c1-11-12(2)25-20(26-18(11)19(28)29)27-9-14-7-13(8-15(14)10-27)16-5-3-4-6-17(16)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3,(H,28,29)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104181
(CHEMBL3593540)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N4O2/c1-10-4-16(17(27)28)25-18(24-10)26-8-12-5-11(6-13(12)9-26)14-7-23-3-2-15(14)19(20,21)22/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,27,28)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104191
(CHEMBL3593527)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cc(cc(C)n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-14(20(27)28)9-19(25-12)26-10-15-7-13(8-16(15)11-26)17-4-2-3-5-18(17)21(22,23)24/h2-6,9,13,15-16H,7-8,10-11H2,1H3,(H,27,28)/t13-,15-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104158
(CHEMBL3594230)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ccccc1C(F)(F)F)c1nc(C)cc(n1)C(O)=O |r| Show InChI InChI=1S/C19H19F3N4O2/c1-11-6-15(17(27)28)24-18(23-11)26-9-12-7-25(8-13(12)10-26)16-5-3-2-4-14(16)19(20,21)22/h2-6,12-13H,7-10H2,1H3,(H,27,28)/t12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104188
(CHEMBL3593531)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)ccc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-7-17(20(27)28)19(25-12)26-10-14-8-13(9-15(14)11-26)16-4-2-3-5-18(16)21(22,23)24/h2-7,13-15H,8-11H2,1H3,(H,27,28)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104159
(CHEMBL3594229 | US10787453, Compound 66)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ccccc1C(F)(F)F)c1nc(C)cc(n1)C(=O)OC |r| Show InChI InChI=1S/C20H21F3N4O2/c1-12-7-16(18(28)29-2)25-19(24-12)27-10-13-8-26(9-14(13)11-27)17-6-4-3-5-15(17)20(21,22)23/h3-7,13-14H,8-11H2,1-2H3/t13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104155
(CHEMBL3594233)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nccc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)15-4-2-1-3-14(15)11-7-12-9-25(10-13(12)8-11)18-23-6-5-16(24-18)17(26)27/h1-6,11-13H,7-10H2,(H,26,27)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104153
(CHEMBL3594235)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(OC)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O3/c1-29-17-8-16(18(27)28)24-19(25-17)26-9-12-6-11(7-13(12)10-26)14-4-2-3-5-15(14)20(21,22)23/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,27,28)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104189
(CHEMBL3593530)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cccc(c1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3NO2/c22-21(23,24)19-7-2-1-6-18(19)14-8-15-11-25(12-16(15)9-14)17-5-3-4-13(10-17)20(26)27/h1-7,10,14-16H,8-9,11-12H2,(H,26,27)/t14-,15-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104154
(CHEMBL3594234)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(cc(n1)C(F)(F)F)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H17F6N3O2/c21-19(22,23)14-4-2-1-3-13(14)10-5-11-8-29(9-12(11)6-10)18-27-15(17(30)31)7-16(28-18)20(24,25)26/h1-4,7,10-12H,5-6,8-9H2,(H,30,31)/t10-,11-,12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104150
(CHEMBL3594238)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ncc(C)c(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-8-24-19(25-17(11)18(27)28)26-9-13-6-12(7-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-5,8,12-14H,6-7,9-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104176
(CHEMBL3594228)Show SMILES Cc1cc(nc(n1)N1CCN(CC1)c1ccccc1C(F)(F)F)C(O)=O Show InChI InChI=1S/C17H17F3N4O2/c1-11-10-13(15(25)26)22-16(21-11)24-8-6-23(7-9-24)14-5-3-2-4-12(14)17(18,19)20/h2-5,10H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104157
(CHEMBL3594231)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(=O)OC)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O2/c1-12-7-18(19(28)29-2)26-20(25-12)27-10-14-8-13(9-15(14)11-27)16-5-3-4-6-17(16)21(22,23)24/h3-7,13-15H,8-11H2,1-2H3/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50019040
(CHEMBL1230001)Show SMILES OC(=O)c1ccccc1NC(=O)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104151
(CHEMBL3594237)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)c(C)c(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O2/c1-11-12(2)25-20(26-18(11)19(28)29)27-9-14-7-13(8-15(14)10-27)16-5-3-4-6-17(16)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3,(H,28,29)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104179
(CHEMBL3594225)Show SMILES COC(=O)c1cc(C)nc(n1)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C19H20F3N3O2/c1-12-11-16(17(26)27-2)24-18(23-12)25-9-7-13(8-10-25)14-5-3-4-6-15(14)19(20,21)22/h3-6,11,13H,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104182
(CHEMBL3593539)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cccc(F)c1Cl |r| Show InChI InChI=1S/C19H19ClFN3O2/c1-10-5-16(18(25)26)23-19(22-10)24-8-12-6-11(7-13(12)9-24)14-3-2-4-15(21)17(14)20/h2-5,11-13H,6-9H2,1H3,(H,25,26)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104158
(CHEMBL3594230)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ccccc1C(F)(F)F)c1nc(C)cc(n1)C(O)=O |r| Show InChI InChI=1S/C19H19F3N4O2/c1-11-6-15(17(27)28)24-18(23-11)26-9-12-7-25(8-13(12)10-26)16-5-3-2-4-14(16)19(20,21)22/h2-6,12-13H,7-10H2,1H3,(H,27,28)/t12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104152
(CHEMBL3594236)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(cc(n1)C(O)=O)C(C)C)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N3O2/c1-12(2)18-9-19(20(29)30)27-21(26-18)28-10-14-7-13(8-15(14)11-28)16-5-3-4-6-17(16)22(23,24)25/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,29,30)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104195
(CHEMBL3593533)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cncc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)15-4-2-1-3-14(15)11-5-12-9-25(10-13(12)6-11)17-8-23-7-16(24-17)18(26)27/h1-4,7-8,11-13H,5-6,9-10H2,(H,26,27)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104148
(CHEMBL3593523)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ncc(cn1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)16-4-2-1-3-15(16)11-5-12-9-25(10-13(12)6-11)18-23-7-14(8-24-18)17(26)27/h1-4,7-8,11-13H,5-6,9-10H2,(H,26,27)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104146
(CHEMBL3593525)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)-c1nnn[nH]1)c1ccccc1C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104178
(CHEMBL3594226)Show SMILES Cc1cc(nc(n1)N1CCC(CC1)c1ccccc1C(F)(F)F)C(O)=O Show InChI InChI=1S/C18H18F3N3O2/c1-11-10-15(16(25)26)23-17(22-11)24-8-6-12(7-9-24)13-4-2-3-5-14(13)18(19,20)21/h2-5,10,12H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104194
(CHEMBL3593537)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cccc(F)c1C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N3O2/c1-10-5-16(18(28)29)26-19(25-10)27-8-12-6-11(7-13(12)9-27)14-3-2-4-15(21)17(14)20(22,23)24/h2-5,11-13H,6-9H2,1H3,(H,28,29)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104152
(CHEMBL3594236)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(cc(n1)C(O)=O)C(C)C)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N3O2/c1-12(2)18-9-19(20(29)30)27-21(26-18)28-10-14-7-13(8-15(14)11-28)16-5-3-4-6-17(16)22(23,24)25/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,29,30)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104191
(CHEMBL3593527)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cc(cc(C)n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-14(20(27)28)9-19(25-12)26-10-15-7-13(8-16(15)11-26)17-4-2-3-5-18(17)21(22,23)24/h2-6,9,13,15-16H,7-8,10-11H2,1H3,(H,27,28)/t13-,15-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 228 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104147
(CHEMBL3593524)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(N)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O/c1-11-6-17(18(24)28)26-19(25-11)27-9-13-7-12(8-14(13)10-27)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H2,24,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104192
(CHEMBL3593526)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-18(20(27)28)25-19(7-12)26-10-14-8-13(9-15(14)11-26)16-4-2-3-5-17(16)21(22,23)24/h2-7,13-15H,8-11H2,1H3,(H,27,28)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104183
(CHEMBL3593538)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C19H19ClFN3O2/c1-10-4-17(18(25)26)23-19(22-10)24-8-12-5-11(6-13(12)9-24)15-7-14(21)2-3-16(15)20/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,25,26)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104187
(CHEMBL3593532)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ncccc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F3N2O2/c21-20(22,23)17-6-2-1-4-15(17)12-8-13-10-25(11-14(13)9-12)18-16(19(26)27)5-3-7-24-18/h1-7,12-14H,8-11H2,(H,26,27)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 381 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104186
(CHEMBL3593534)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cc(cnn1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)16-4-2-1-3-15(16)11-5-13-9-25(10-14(13)6-11)17-7-12(18(26)27)8-23-24-17/h1-4,7-8,11,13-14H,5-6,9-10H2,(H,26,27)/t11-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 437 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104185
(CHEMBL3593535)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C(O)=O)c(C)s1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N2O2S/c1-10-16(17(25)26)23-18(27-10)24-8-12-6-11(7-13(12)9-24)14-4-2-3-5-15(14)19(20,21)22/h2-5,11-13H,6-9H2,1H3,(H,25,26)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 495 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104182
(CHEMBL3593539)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cccc(F)c1Cl |r| Show InChI InChI=1S/C19H19ClFN3O2/c1-10-5-16(18(25)26)23-19(22-10)24-8-12-6-11(7-13(12)9-24)14-3-2-4-15(21)17(14)20/h2-5,11-13H,6-9H2,1H3,(H,25,26)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 504 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104176
(CHEMBL3594228)Show SMILES Cc1cc(nc(n1)N1CCN(CC1)c1ccccc1C(F)(F)F)C(O)=O Show InChI InChI=1S/C17H17F3N4O2/c1-11-10-13(15(25)26)22-16(21-11)24-8-6-23(7-9-24)14-5-3-2-4-12(14)17(18,19)20/h2-5,10H,6-9H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 511 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104149
(CHEMBL3594239)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ncc(C(O)=O)c(C)n1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-16(18(27)28)8-24-19(25-11)26-9-13-6-12(7-14(13)10-26)15-4-2-3-5-17(15)20(21,22)23/h2-5,8,12-14H,6-7,9-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 523 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104183
(CHEMBL3593538)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C19H19ClFN3O2/c1-10-4-17(18(25)26)23-19(22-10)24-8-12-5-11(6-13(12)9-24)15-7-14(21)2-3-16(15)20/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,25,26)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 532 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104190
(CHEMBL3593528)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ccc(C)c(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-7-18(25-19(12)20(27)28)26-10-14-8-13(9-15(14)11-26)16-4-2-3-5-17(16)21(22,23)24/h2-7,13-15H,8-11H2,1H3,(H,27,28)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 584 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104150
(CHEMBL3594238)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ncc(C)c(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-8-24-19(25-17(11)18(27)28)26-9-13-6-12(7-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-5,8,12-14H,6-7,9-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 595 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104180
(CHEMBL3593693)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cccnc1C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N4O2/c1-10-5-15(17(27)28)25-18(24-10)26-8-12-6-11(7-13(12)9-26)14-3-2-4-23-16(14)19(20,21)22/h2-5,11-13H,6-9H2,1H3,(H,27,28)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 719 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104181
(CHEMBL3593540)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N4O2/c1-10-4-16(17(27)28)25-18(24-10)26-8-12-5-11(6-13(12)9-26)14-7-23-3-2-15(14)19(20,21)22/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,27,28)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 821 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104177
(CHEMBL3594227)Show SMILES COC(=O)c1cc(C)nc(n1)N1CCN(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C18H19F3N4O2/c1-12-11-14(16(26)27-2)23-17(22-12)25-9-7-24(8-10-25)15-6-4-3-5-13(15)18(19,20)21/h3-6,11H,7-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104148
(CHEMBL3593523)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ncc(cn1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)16-4-2-1-3-15(16)11-5-12-9-25(10-13(12)6-11)18-23-7-14(8-24-18)17(26)27/h1-4,7-8,11-13H,5-6,9-10H2,(H,26,27)/t11-,12-,13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104188
(CHEMBL3593531)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)ccc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-7-17(20(27)28)19(25-12)26-10-14-8-13(9-15(14)11-26)16-4-2-3-5-18(16)21(22,23)24/h2-7,13-15H,8-11H2,1H3,(H,27,28)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104196
(CHEMBL3593529)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cncc(c1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F3N2O2/c21-20(22,23)18-4-2-1-3-17(18)12-5-14-10-25(11-15(14)6-12)16-7-13(19(26)27)8-24-9-16/h1-4,7-9,12,14-15H,5-6,10-11H2,(H,26,27)/t12-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104193
(CHEMBL3593694)Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13+,14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104189
(CHEMBL3593530)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1cccc(c1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3NO2/c22-21(23,24)19-7-2-1-6-18(19)14-8-15-11-25(12-16(15)9-14)17-5-3-4-13(10-17)20(26)27/h1-7,10,14-16H,8-9,11-12H2,(H,26,27)/t14-,15-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Retinol-binding protein 4
(Homo sapiens (Human)) | BDBM50104190
(CHEMBL3593528)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1ccc(C)c(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N2O2/c1-12-6-7-18(25-19(12)20(27)28)26-10-14-8-13(9-15(14)11-26)16-4-2-3-5-17(16)21(22,23)24/h2-7,13-15H,8-11H2,1H3,(H,27,28)/t13-,14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50104156
(CHEMBL3594232)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp assay |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50104156
(CHEMBL3594232)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50104156
(CHEMBL3594232)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50104156
(CHEMBL3594232)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50104156
(CHEMBL3594232)Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/t12-,13-,14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 58: 5863-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00423
BindingDB Entry DOI: 10.7270/Q20Z751F |
More data for this
Ligand-Target Pair | |
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