Found 1255 hits with Last Name = 'polam' and Initial = 'p' 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 |
|---|
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP9 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50074364
(CHEMBL350356 | N*2*-(2-Bromo-4-isopropyl-phenyl)-N...)Show SMILES CCCCN(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C22H33BrN4/c1-7-10-13-26(8-2)21-14-17(6)24-22(25-21)27(9-3)20-12-11-18(16(4)5)15-19(20)23/h11-12,14-16H,7-10,13H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP1 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13465
((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O |r| Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
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Similars
| MMDB
PDB
Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition constant against protein-tyrosine phosphatase 1B by PNPP enzyme assay |
J Med Chem 48: 6544-8 (2005)
Article DOI: 10.1021/jm0504555
BindingDB Entry DOI: 10.7270/Q2805252 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Stromelysin-2
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP10 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP7 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50182403
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP14 |
Bioorg Med Chem Lett 16: 2357-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM50300305
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Competitive inhibition of IDO1 (unknown origin) |
ACS Med Chem Lett 8: 486-491 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00391
BindingDB Entry DOI: 10.7270/Q2G73H0Q |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155982
(8-(Butyl-ethyl-amino)-4-(2-chloro-4-methoxy-phenyl...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1Cl Show InChI InChI=1S/C21H27ClN4O2/c1-5-7-10-25(6-2)18-11-14(3)23-21-20(18)24-19(27)13-26(21)17-9-8-15(28-4)12-16(17)22/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13467
((2R)-2-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H23F4N3O11P2/c23-21(24,41(35,36)37)13-5-1-11(2-6-13)9-15(18(27)31)28-19(32)17(20(33)34)29-16(30)10-12-3-7-14(8-4-12)22(25,26)42(38,39)40/h1-8,15,17H,9-10H2,(H2,27,31)(H,28,32)(H,29,30)(H,33,34)(H2,35,36,37)(H2,38,39,40)/t15-,17+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Incyte Corporation
| Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41... |
J Biol Chem 281: 38013-21 (2006)
Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155974
(8-(Butyl-ethyl-amino)-4-(2,4-dichloro-phenyl)-6-me...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H24Cl2N4O/c1-4-6-9-25(5-2)17-10-13(3)23-20-19(17)24-18(27)12-26(20)16-8-7-14(21)11-15(16)22/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155964
(8-(Butyl-ethyl-amino)-4-(2-chloro-5-fluoro-4-metho...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1cc(F)c(OC)cc1Cl Show InChI InChI=1S/C21H26ClFN4O2/c1-5-7-8-26(6-2)17-9-13(3)24-21-20(17)25-19(28)12-27(21)16-11-15(23)18(29-4)10-14(16)22/h9-11H,5-8,12H2,1-4H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50387635
(CHEMBL2058338)Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(OC)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-10-12(2)19(28-4)11-17(16)23/h8-11,14,18H,5-7H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CFR1R |
Bioorg Med Chem Lett 22: 4986-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155967
(4-(2-Bromo-4-isopropyl-phenyl)-8-(butyl-ethyl-amin...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C23H31BrN4O/c1-6-8-11-27(7-2)20-12-16(5)25-23-22(20)26-21(29)14-28(23)19-10-9-17(15(3)4)13-18(19)24/h9-10,12-13,15H,6-8,11,14H2,1-5H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50387601
(CHEMBL2058596)Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(F)c(cc3Cl)N(C)C)c2nc(C)c1=O Show InChI InChI=1S/C22H24ClFN4O/c1-5-18(13-6-7-13)28-21-20(26-12(2)22(28)29)14(8-9-25-21)15-10-17(24)19(27(3)4)11-16(15)23/h8-11,13,18H,5-7H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CFR1R |
Bioorg Med Chem Lett 22: 4986-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM20977
(8-[butyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1OC Show InChI InChI=1S/C21H29N5O3/c1-6-8-11-25(7-2)16-12-14(3)22-20-19(16)23-17(27)13-26(20)15-9-10-18(28-4)24-21(15)29-5/h9-10,12H,6-8,11,13H2,1-5H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | 7.0 | 23 |
Bristol-Myers Squibb Company
| Assay Description
The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro. |
J Med Chem 50: 2269-72 (2007)
Article DOI: 10.1021/jm0611410
BindingDB Entry DOI: 10.7270/Q25Q4TCS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM20977
(8-[butyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1OC Show InChI InChI=1S/C21H29N5O3/c1-6-8-11-25(7-2)16-12-14(3)22-20-19(16)23-17(27)13-26(20)15-9-10-18(28-4)24-21(15)29-5/h9-10,12H,6-8,11,13H2,1-5H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155979
(8-(Butyl-ethyl-amino)-4-(2-chloro-4-isopropyl-phen...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C(C)C Show InChI InChI=1S/C23H31ClN4O/c1-6-8-11-27(7-2)20-12-16(5)25-23-22(20)26-21(29)14-28(23)19-10-9-17(15(3)4)13-18(19)24/h9-10,12-13,15H,6-8,11,14H2,1-5H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM20973
(8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1C Show InChI InChI=1S/C22H30N4O2/c1-6-8-11-25(7-2)19-13-16(4)23-22-21(19)24-20(27)14-26(22)18-10-9-17(28-5)12-15(18)3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | 7.0 | 23 |
Bristol-Myers Squibb Company
| Assay Description
The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro. |
J Med Chem 50: 2269-72 (2007)
Article DOI: 10.1021/jm0611410
BindingDB Entry DOI: 10.7270/Q25Q4TCS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM20973
(8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1C Show InChI InChI=1S/C22H30N4O2/c1-6-8-11-25(7-2)19-13-16(4)23-22-21(19)24-20(27)14-26(22)18-10-9-17(28-5)12-15(18)3/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50529386
(CHEMBL4458634)Show SMILES COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H26ClN7O2/c1-12-17(25)10-16(14(3)32-23-20(13(2)30-32)22(26)28-11-29-23)21(34-6)19(12)15-7-8-27-18(9-15)24(33)31(4)5/h7-11,14H,1-6H3,(H2,26,28,29)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50529384
(CHEMBL4438376)Show SMILES COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C21H21ClN6O3S/c1-11-17(22)6-15(12(2)28-21-16(7-23)20(24)26-10-27-21)19(31-3)18(11)13-5-14(9-25-8-13)32(4,29)30/h5-6,8-10,12H,1-4H3,(H3,24,26,27,28)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM261330
(US10092570, Example 352 | US9707233, 350)Show SMILES CCOc1c(cc(Cl)c(C#N)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C21H22ClN7O2/c1-4-31-19-13(6-15(22)14(7-23)18(19)12-5-16(30)25-8-12)11(3)29-21-17(10(2)28-29)20(24)26-9-27-21/h6,9,11-12H,4-5,8H2,1-3H3,(H,25,30)(H2,24,26,27)/t11-,12?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM272573
(US10065963, 32c | US10376513, Example 346 | US1064...)Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM272573
(US10065963, 32c | US10376513, Example 346 | US1064...)Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]-ATP base... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50387603
(CHEMBL2058598)Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(Cl)cc3OC)c2nc(C)c1=O Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-10-12(2)17(23)11-19(16)28-4/h8-11,14,18H,5-7H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CFR1R |
Bioorg Med Chem Lett 22: 4986-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM272573
(US10065963, 32c | US10376513, Example 346 | US1064...)Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in AKT phosphorylation incubated for 2 hrs by Alexa flour 488 based FACS analysis |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155975
(3-Chloro-4-(8-dipropylamino-6-methyl-2-oxo-2,3-dih...)Show SMILES CCCN(CCC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C#N Show InChI InChI=1S/C21H24ClN5O/c1-4-8-26(9-5-2)18-10-14(3)24-21-20(18)25-19(28)13-27(21)17-7-6-15(12-23)11-16(17)22/h6-7,10-11H,4-5,8-9,13H2,1-3H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM261317
(US10376513, Example 310 | US11433071, Example 311 ...)Show SMILES CCOc1c(cc(Cl)c(C)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C21H25ClN6O2/c1-5-30-19-14(7-15(22)10(2)17(19)13-6-16(29)24-8-13)12(4)28-21-18(11(3)27-28)20(23)25-9-26-21/h7,9,12-13H,5-6,8H2,1-4H3,(H,24,29)(H2,23,25,26)/t12-,13?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50387618
(CHEMBL2057479)Show SMILES COCC(C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C21H21ClFN3O3/c1-11-21(27)26(17(10-28-2)12-4-5-12)20-19(25-11)13(6-7-24-20)14-8-16(23)18(29-3)9-15(14)22/h6-9,12,17H,4-5,10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CFR1R |
Bioorg Med Chem Lett 22: 4986-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155973
(4-(2-Chloro-5-fluoro-4-methoxy-phenyl)-8-(ethyl-is...)Show SMILES CCN(C(C)C)c1cc(C)nc2N(CC(=O)Nc12)c1cc(F)c(OC)cc1Cl Show InChI InChI=1S/C20H24ClFN4O2/c1-6-25(11(2)3)16-7-12(4)23-20-19(16)24-18(27)10-26(20)15-9-14(22)17(28-5)8-13(15)21/h7-9,11H,6,10H2,1-5H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13469
(({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...)Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Incyte Corporation
| Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41... |
J Biol Chem 281: 38013-21 (2006)
Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50529381
(CHEMBL4446120)Show SMILES COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C21H21ClN6O3S/c1-11-16(22)6-15(12(2)28-21-18-20(25-9-24-18)26-10-27-21)19(31-3)17(11)13-5-14(8-23-7-13)32(4,29)30/h5-10,12H,1-4H3,(H2,24,25,26,27,28)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50387639
(CHEMBL2058593)Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O |r| Show InChI InChI=1S/C21H21ClFN3O2/c1-4-17(12-5-6-12)26-20-19(25-11(2)21(26)27)13(7-8-24-20)14-9-16(23)18(28-3)10-15(14)22/h7-10,12,17H,4-6H2,1-3H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CFR1R |
Bioorg Med Chem Lett 22: 4986-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50529385
(CHEMBL4444112)Show SMILES COc1c(cc(Cl)c(C)c1-c1ccc(cn1)C(=O)N(C)C)[C@H](C)Nc1ncnc(N)c1C#N |r| Show InChI InChI=1S/C23H24ClN7O2/c1-12-17(24)8-15(13(2)30-22-16(9-25)21(26)28-11-29-22)20(33-5)19(12)18-7-6-14(10-27-18)23(32)31(3)4/h6-8,10-11,13H,1-5H3,(H3,26,28,29,30)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155960
(3-Chloro-4-[8-(cyclobutylmethyl-propyl-amino)-6-me...)Show SMILES CCCN(CC1CCC1)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C#N Show InChI InChI=1S/C23H26ClN5O/c1-3-9-28(13-16-5-4-6-16)20-10-15(2)26-23-22(20)27-21(30)14-29(23)19-8-7-17(12-25)11-18(19)24/h7-8,10-11,16H,3-6,9,13-14H2,1-2H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM384664
(4-((5)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrim...)Show SMILES COc1c(cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C22H26ClN7O2/c1-11(31)7-29-8-14(9-29)19-16(6-24)17(23)5-15(20(19)32-4)13(3)30-22-18(12(2)28-30)21(25)26-10-27-22/h5,10-11,13-14,31H,7-9H2,1-4H3,(H2,25,26,27)/t11-,13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50387636
(CHEMBL2058589)Show SMILES CCOc1cc(Cl)c(cc1C)-c1ccnc2n(C(CC)C3CC3)c(=O)c(C)nc12 Show InChI InChI=1S/C23H26ClN3O2/c1-5-19(15-7-8-15)27-22-21(26-14(4)23(27)28)16(9-10-25-22)17-11-13(3)20(29-6-2)12-18(17)24/h9-12,15,19H,5-8H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CFR1R |
Bioorg Med Chem Lett 22: 4986-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM272573
(US10065963, 32c | US10376513, Example 346 | US1064...)Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgE antibody-induced CD63 expression by flow cast kit method |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50387617
(CHEMBL2057478)Show SMILES CCC(COC)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O Show InChI InChI=1S/C20H21ClFN3O3/c1-5-12(10-27-3)25-19-18(24-11(2)20(25)26)13(6-7-23-19)14-8-16(22)17(28-4)9-15(14)21/h6-9,12H,5,10H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CFR1R |
Bioorg Med Chem Lett 22: 4986-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM20978
(N-butyl-4-(2,6-dimethoxypyridin-3-yl)-N-ethyl-6-me...)Show InChI InChI=1S/C21H31N5O2/c1-6-8-12-25(7-2)17-14-15(3)23-20-19(17)22-11-13-26(20)16-9-10-18(27-4)24-21(16)28-5/h9-10,14,22H,6-8,11-13H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | 7.0 | 23 |
Bristol-Myers Squibb Company
| Assay Description
The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro. |
J Med Chem 50: 2269-72 (2007)
Article DOI: 10.1021/jm0611410
BindingDB Entry DOI: 10.7270/Q25Q4TCS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155959
(4-[8-(Butyl-ethyl-amino)-6-methyl-2-oxo-2,3-dihydr...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C#N Show InChI InChI=1S/C21H24ClN5O/c1-4-6-9-26(5-2)18-10-14(3)24-21-20(18)25-19(28)13-27(21)17-8-7-15(12-23)11-16(17)22/h7-8,10-11H,4-6,9,13H2,1-3H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50529388
(CHEMBL4443149)Show SMILES COc1c(cc(Cl)c(C)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23ClN6O2/c1-9-14(21)6-13(18(29-4)16(9)12-5-15(28)23-7-12)11(3)27-20-17(10(2)26-27)19(22)24-8-25-20/h6,8,11-12H,5,7H2,1-4H3,(H,23,28)(H2,22,24,25)/t11-,12?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50155965
(4-(2-Chloro-4-isopropyl-phenyl)-8-[(2-methoxy-ethy...)Show SMILES CCCN(CCOC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Cl)C(C)C Show InChI InChI=1S/C23H31ClN4O2/c1-6-9-27(10-11-30-5)20-12-16(4)25-23-22(20)26-21(29)14-28(23)19-8-7-17(15(2)3)13-18(19)24/h7-8,12-13,15H,6,9-11,14H2,1-5H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-ovine-CRF binding to corticotropin releasing factor receptor 1 |
J Med Chem 47: 5783-90 (2004)
Article DOI: 10.1021/jm049737f
BindingDB Entry DOI: 10.7270/Q2S75FT6 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50529391
(CHEMBL4513857)Show SMILES COc1c(cc(Cl)c(C)c1-c1cnn(C)c1)[C@H](C)Nc1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C19H20ClN7O/c1-10-14(20)5-13(17(28-4)15(10)12-6-25-27(3)7-12)11(2)26-19-16-18(22-8-21-16)23-9-24-19/h5-9,11H,1-4H3,(H2,21,22,23,24,26)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based... |
ACS Med Chem Lett 10: 1554-1560 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM50387616
(CHEMBL2057477)Show SMILES COc1ccc(c(C)c1)-c1ccnc2n(C(C3CC3)C3CC3)c(=O)c(C)nc12 Show InChI InChI=1S/C23H25N3O2/c1-13-12-17(28-3)8-9-18(13)19-10-11-24-22-20(19)25-14(2)23(27)26(22)21(15-4-5-15)16-6-7-16/h8-12,15-16,21H,4-7H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Antagonist activity at rat CFR1R |
Bioorg Med Chem Lett 22: 4986-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6 |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Rattus norvegicus (rat)) | BDBM20985
(4-{8-[butyl(ethyl)amino]-6-methyl-2-oxo-1H,2H,3H,4...)Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C#N Show InChI InChI=1S/C22H27N5O/c1-5-7-10-26(6-2)19-12-16(4)24-22-21(19)25-20(28)14-27(22)18-9-8-17(13-23)11-15(18)3/h8-9,11-12H,5-7,10,14H2,1-4H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | 7.0 | 23 |
Bristol-Myers Squibb Company
| Assay Description
The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro. |
J Med Chem 50: 2269-72 (2007)
Article DOI: 10.1021/jm0611410
BindingDB Entry DOI: 10.7270/Q25Q4TCS |
More data for this
Ligand-Target Pair | |
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