Found 51 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 |
|---|
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50337153
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C38H38FN5O3/c1-23(2)31-17-26(20-40)18-33-36(31)47-38(43-33)28-7-5-27(6-8-28)37(45)42-21-25-13-15-44(16-14-25)35-12-9-29(22-41-35)32-19-30(39)10-11-34(32)46-24(3)4/h5-12,17-19,22-25H,13-16,21H2,1-4H3,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342850
((S)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C35H28F3N5O5/c1-20(2)26-14-21(16-39)15-27-30(26)46-32(42-27)23-10-8-22(9-11-23)31(44)41-18-34(3)19-43(33(45)48-34)29-13-12-24(17-40-29)25-6-4-5-7-28(25)47-35(36,37)38/h4-15,17,20H,18-19H2,1-3H3,(H,41,44)/t34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342849
((R)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C35H28F3N5O5/c1-20(2)26-14-21(16-39)15-27-30(26)46-32(42-27)23-10-8-22(9-11-23)31(44)41-18-34(3)19-43(33(45)48-34)29-13-12-24(17-40-29)25-6-4-5-7-28(25)47-35(36,37)38/h4-15,17,20H,18-19H2,1-3H3,(H,41,44)/t34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342838
(CHEMBL1771123 | cis-N-((4-(4-tert-butylphenyl)cycl...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(C)(C)C)C#N |r,wU:22.24,25.31,(-7.37,5.12,;-8.14,3.79,;-9.68,3.79,;-7.37,2.45,;-8.14,1.12,;-7.37,-.22,;-5.83,-.21,;-5.07,1.12,;-3.56,1.44,;-3.41,2.97,;-4.81,3.6,;-5.84,2.45,;-2.07,3.74,;-.74,2.97,;.6,3.74,;.59,5.29,;-.74,6.05,;-2.07,5.28,;1.92,6.06,;1.92,7.61,;3.26,5.3,;3.27,3.76,;4.6,2.99,;5.92,3.77,;7.26,3,;7.26,1.46,;5.93,.69,;4.6,1.45,;8.6,.69,;8.59,-.85,;9.92,-1.62,;11.26,-.85,;11.25,.7,;9.92,1.46,;12.59,-1.62,;12.59,-3.16,;13.92,-.85,;13.91,-2.39,;-8.13,-1.56,;-8.89,-2.89,)| Show InChI InChI=1S/C35H39N3O2/c1-22(2)30-18-24(20-36)19-31-32(30)40-34(38-31)28-12-10-27(11-13-28)33(39)37-21-23-6-8-25(9-7-23)26-14-16-29(17-15-26)35(3,4)5/h10-19,22-23,25H,6-9,21H2,1-5H3,(H,37,39)/t23-,25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342837
(CHEMBL1771124 | trans-N-((4-(4-tert-butylphenyl)cy...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(C)(C)C)C#N |r,wU:22.24,wD:25.31,(19.49,4.45,;18.72,3.12,;17.18,3.12,;19.49,1.79,;18.72,.45,;19.5,-.88,;21.03,-.88,;21.8,.45,;23.3,.77,;23.46,2.3,;22.06,2.93,;21.03,1.78,;24.79,3.07,;26.13,2.3,;27.46,3.07,;27.46,4.62,;26.12,5.38,;24.79,4.61,;28.79,5.39,;28.78,6.93,;30.12,4.63,;30.13,3.09,;31.47,2.32,;32.79,3.1,;34.12,2.33,;34.13,.79,;32.79,.02,;31.46,.78,;35.46,.02,;35.45,-1.52,;36.79,-2.29,;38.12,-1.52,;38.12,.03,;36.78,.79,;39.46,-2.29,;39.46,-3.83,;40.79,-1.51,;40.78,-3.06,;18.74,-2.23,;17.97,-3.56,)| Show InChI InChI=1S/C35H39N3O2/c1-22(2)30-18-24(20-36)19-31-32(30)40-34(38-31)28-12-10-27(11-13-28)33(39)37-21-23-6-8-25(9-7-23)26-14-16-29(17-15-26)35(3,4)5/h10-19,22-23,25H,6-9,21H2,1-5H3,(H,37,39)/t23-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342835
(CHEMBL1771126 | trans-4-(5-cyano-7-isopropylbenzo[...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(20.13,-4.03,;19.36,-5.36,;17.82,-5.36,;20.13,-6.69,;19.36,-8.03,;20.14,-9.36,;21.67,-9.36,;22.43,-8.03,;23.94,-7.71,;24.09,-6.18,;22.7,-5.55,;21.67,-6.69,;25.43,-5.41,;26.76,-6.18,;28.1,-5.41,;28.09,-3.86,;26.76,-3.09,;25.43,-3.87,;29.43,-3.08,;29.42,-1.54,;30.76,-3.85,;30.77,-5.39,;32.1,-6.15,;33.43,-5.38,;34.76,-6.15,;34.76,-7.69,;33.43,-8.46,;32.1,-7.69,;36.1,-8.46,;36.09,-10,;37.42,-10.77,;38.76,-10,;38.75,-8.45,;37.42,-7.69,;40.09,-10.76,;40.1,-12.3,;41.43,-9.99,;41.42,-11.53,;19.37,-10.7,;18.61,-12.04,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-15-21(17-36)16-28-29(27)40-31(38-28)25-9-7-24(8-10-25)30(39)37-18-20-3-5-22(6-4-20)23-11-13-26(14-12-23)32(33,34)35/h7-16,19-20,22H,3-6,18H2,1-2H3,(H,37,39)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342847
((R)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50337153
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CCC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)CC1 Show InChI InChI=1S/C38H38FN5O3/c1-23(2)31-17-26(20-40)18-33-36(31)47-38(43-33)28-7-5-27(6-8-28)37(45)42-21-25-13-15-44(16-14-25)35-12-9-29(22-41-35)32-19-30(39)10-11-34(32)46-24(3)4/h5-12,17-19,22-25H,13-16,21H2,1-4H3,(H,42,45) | 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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342845
((R)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1C[C@@H](CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O |r| Show InChI InChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43)/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342844
(CHEMBL1771141 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N Show InChI InChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342828
(CHEMBL1771133 | trans-N-((4-(4-chlorophenyl)cycloh...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(Cl)cc1)C#N |r,wU:22.24,wD:25.31,(9.15,-44.24,;8.38,-45.58,;6.84,-45.58,;9.15,-46.91,;8.38,-48.24,;9.15,-49.58,;10.69,-49.57,;11.45,-48.25,;12.96,-47.93,;13.11,-46.4,;11.71,-45.77,;10.68,-46.91,;14.45,-45.63,;15.78,-46.4,;17.12,-45.63,;17.11,-44.08,;15.78,-43.31,;14.45,-44.08,;18.44,-43.3,;18.44,-41.76,;19.78,-44.07,;19.79,-45.61,;21.12,-46.37,;22.44,-45.59,;23.78,-46.37,;23.78,-47.91,;22.45,-48.68,;21.12,-47.91,;25.12,-48.68,;25.11,-50.22,;26.44,-50.99,;27.78,-50.22,;29.11,-50.98,;27.77,-48.67,;26.44,-47.9,;8.39,-50.92,;7.63,-52.26,)| Show InChI InChI=1S/C31H30ClN3O2/c1-19(2)27-15-21(17-33)16-28-29(27)37-31(35-28)25-9-7-24(8-10-25)30(36)34-18-20-3-5-22(6-4-20)23-11-13-26(32)14-12-23/h7-16,19-20,22H,3-6,18H2,1-2H3,(H,34,36)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342834
(CHEMBL1771127 | cis-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cccc(c1)C(F)(F)F)C#N |r,wU:22.24,25.31,(-8.51,-12.13,;-9.28,-13.46,;-10.82,-13.46,;-8.51,-14.8,;-9.28,-16.13,;-8.5,-17.47,;-6.97,-17.46,;-6.2,-16.13,;-4.7,-15.81,;-4.54,-14.28,;-5.94,-13.65,;-6.97,-14.8,;-3.21,-13.51,;-1.87,-14.29,;-.54,-13.51,;-.54,-11.96,;-1.88,-11.2,;-3.21,-11.97,;.79,-11.19,;.78,-9.65,;2.12,-11.95,;2.13,-13.49,;3.47,-14.26,;4.79,-13.48,;6.12,-14.25,;6.13,-15.79,;4.79,-16.56,;3.46,-15.8,;7.46,-16.56,;7.45,-18.1,;8.79,-18.87,;10.12,-18.1,;10.12,-16.55,;8.78,-15.79,;11.45,-15.78,;12.78,-16.54,;11.44,-14.24,;12.53,-14.68,;-9.26,-18.81,;-10.03,-20.14,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-14-21(17-36)15-28-29(27)40-31(38-28)24-12-10-23(11-13-24)30(39)37-18-20-6-8-22(9-7-20)25-4-3-5-26(16-25)32(33,34)35/h3-5,10-16,19-20,22H,6-9,18H2,1-2H3,(H,37,39)/t20-,22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342829
(CHEMBL1771132 | trans-N-((4-(3,5-bis(trifluorometh...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(22.07,-31.51,;21.3,-32.85,;19.76,-32.85,;22.07,-34.18,;21.3,-35.51,;22.08,-36.85,;23.62,-36.84,;24.38,-35.51,;25.89,-35.2,;26.04,-33.67,;24.64,-33.04,;23.61,-34.18,;27.37,-32.9,;28.71,-33.67,;30.04,-32.9,;30.04,-31.35,;28.7,-30.58,;27.38,-31.35,;31.37,-30.57,;31.36,-29.03,;32.71,-31.34,;32.71,-32.88,;34.05,-33.64,;35.37,-32.86,;36.71,-33.64,;36.71,-35.18,;35.37,-35.95,;34.04,-35.18,;38.04,-35.95,;39.37,-35.17,;40.7,-35.94,;40.7,-37.48,;39.37,-38.25,;38.04,-37.48,;39.37,-39.79,;38.03,-40.56,;40.7,-40.56,;39.36,-41.33,;42.03,-35.16,;43.37,-35.93,;42.02,-33.62,;43.11,-34.06,;21.32,-38.19,;20.55,-39.53,)| Show InChI InChI=1S/C33H29F6N3O2/c1-18(2)27-11-20(16-40)12-28-29(27)44-31(42-28)23-9-7-22(8-10-23)30(43)41-17-19-3-5-21(6-4-19)24-13-25(32(34,35)36)15-26(14-24)33(37,38)39/h7-15,18-19,21H,3-6,17H2,1-2H3,(H,41,43)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342833
(CHEMBL1771128 | trans-4-(5-cyano-7-isopropylbenzo[...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cccc(c1)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(20.88,-12.64,;20.11,-13.97,;18.57,-13.97,;20.88,-15.3,;20.11,-16.64,;20.88,-17.97,;22.42,-17.97,;23.18,-16.64,;24.69,-16.32,;24.84,-14.79,;23.44,-14.16,;22.41,-15.3,;26.18,-14.02,;27.51,-14.79,;28.85,-14.02,;28.84,-12.47,;27.51,-11.7,;26.18,-12.48,;30.17,-11.69,;30.17,-10.15,;31.51,-12.46,;31.51,-14,;32.85,-14.76,;34.17,-13.99,;35.51,-14.76,;35.51,-16.3,;34.18,-17.07,;32.85,-16.3,;36.85,-17.07,;36.84,-18.61,;38.17,-19.38,;39.51,-18.61,;39.5,-17.06,;38.17,-16.3,;40.83,-16.28,;42.17,-17.05,;40.83,-14.74,;41.91,-15.18,;20.12,-19.31,;19.36,-20.65,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-14-21(17-36)15-28-29(27)40-31(38-28)24-12-10-23(11-13-24)30(39)37-18-20-6-8-22(9-7-20)25-4-3-5-26(16-25)32(33,34)35/h3-5,10-16,19-20,22H,6-9,18H2,1-2H3,(H,37,39)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342843
(CHEMBL1771140 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O Show InChI InChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342831
(CHEMBL1771130 | trans-4-(5-cyano-7-isopropylbenzo[...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cccc(C)c1)C#N |r,wU:22.24,wD:25.31,(21.89,-21.76,;21.12,-23.09,;19.58,-23.09,;21.89,-24.43,;21.12,-25.76,;21.89,-27.1,;23.43,-27.09,;24.19,-25.76,;25.7,-25.44,;25.85,-23.91,;24.45,-23.28,;23.42,-24.43,;27.19,-23.14,;28.52,-23.91,;29.86,-23.14,;29.85,-21.59,;28.52,-20.83,;27.19,-21.6,;31.18,-20.82,;31.18,-19.28,;32.52,-21.58,;32.53,-23.12,;33.86,-23.89,;35.18,-23.11,;36.52,-23.88,;36.52,-25.42,;35.19,-26.19,;33.86,-25.43,;37.86,-26.19,;37.85,-27.73,;39.18,-28.5,;40.52,-27.73,;40.51,-26.18,;41.84,-25.41,;39.18,-25.42,;21.13,-28.44,;20.37,-29.77,)| Show InChI InChI=1S/C32H33N3O2/c1-20(2)28-16-23(18-33)17-29-30(28)37-32(35-29)26-13-11-25(12-14-26)31(36)34-19-22-7-9-24(10-8-22)27-6-4-5-21(3)15-27/h4-6,11-17,20,22,24H,7-10,19H2,1-3H3,(H,34,36)/t22-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342836
(CHEMBL1771125 | cis-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(F)(F)F)C#N |r,wU:22.24,25.31,(-7.64,-4.05,;-8.41,-5.38,;-9.95,-5.38,;-7.64,-6.72,;-8.41,-8.05,;-7.63,-9.39,;-6.1,-9.38,;-5.33,-8.05,;-3.83,-7.73,;-3.67,-6.2,;-5.07,-5.57,;-6.1,-6.72,;-2.34,-5.43,;-1,-6.2,;.33,-5.43,;.33,-3.88,;-1.01,-3.12,;-2.34,-3.89,;1.66,-3.11,;1.65,-1.57,;3,-3.87,;3,-5.41,;4.34,-6.18,;5.66,-5.4,;7,-6.17,;7,-7.71,;5.66,-8.48,;4.33,-7.72,;8.33,-8.48,;8.32,-10.02,;9.66,-10.79,;10.99,-10.02,;10.99,-8.47,;9.65,-7.71,;12.33,-10.79,;12.33,-12.33,;13.66,-10.02,;13.65,-11.56,;-8.39,-10.73,;-9.16,-12.06,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-15-21(17-36)16-28-29(27)40-31(38-28)25-9-7-24(8-10-25)30(39)37-18-20-3-5-22(6-4-20)23-11-13-26(14-12-23)32(33,34)35/h7-16,19-20,22H,3-6,18H2,1-2H3,(H,37,39)/t20-,22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342848
((S)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342832
(CHEMBL1771129 | cis-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cccc(C)c1)C#N |r,wU:22.24,25.31,(-7.19,-20.68,;-7.96,-22.01,;-9.5,-22.01,;-7.19,-23.34,;-7.96,-24.68,;-7.18,-26.01,;-5.64,-26.01,;-4.88,-24.68,;-3.37,-24.36,;-3.22,-22.83,;-4.62,-22.2,;-5.65,-23.35,;-1.89,-22.06,;-.55,-22.83,;.78,-22.06,;.78,-20.51,;-.56,-19.75,;-1.88,-20.52,;2.11,-19.74,;2.1,-18.2,;3.45,-20.5,;3.45,-22.04,;4.79,-22.81,;6.11,-22.03,;7.45,-22.8,;7.45,-24.34,;6.11,-25.11,;4.78,-24.35,;8.78,-25.11,;8.78,-26.65,;10.11,-27.42,;11.44,-26.65,;11.44,-25.1,;12.77,-24.33,;10.11,-24.34,;-7.94,-27.36,;-8.71,-28.69,)| Show InChI InChI=1S/C32H33N3O2/c1-20(2)28-16-23(18-33)17-29-30(28)37-32(35-29)26-13-11-25(12-14-26)31(36)34-19-22-7-9-24(10-8-22)27-6-4-5-21(3)15-27/h4-6,11-17,20,22,24H,7-10,19H2,1-3H3,(H,34,36)/t22-,24+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342846
((S)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1C[C@H](CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O |r| Show InChI InChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342842
(CHEMBL1771139 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)Oc1ccc(C)cc1-c1ccc(nc1)N1CC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O Show InChI InChI=1S/C37H35N5O5/c1-21(2)29-15-24(17-38)16-31-34(29)47-36(41-31)26-9-7-25(8-10-26)35(43)40-19-28-20-42(37(44)46-28)33-13-11-27(18-39-33)30-14-23(5)6-12-32(30)45-22(3)4/h6-16,18,21-22,28H,19-20H2,1-5H3,(H,40,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342840
(CHEMBL1771136 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1C#N)C#N Show InChI InChI=1S/C34H26N6O4/c1-20(2)28-13-21(15-35)14-29-31(28)44-33(39-29)23-9-7-22(8-10-23)32(41)38-18-26-19-40(34(42)43-26)30-12-11-25(17-37-30)27-6-4-3-5-24(27)16-36/h3-14,17,20,26H,18-19H2,1-2H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 829 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342841
(CHEMBL1771138 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccc(C)s1)C#N Show InChI InChI=1S/C32H27N5O4S/c1-18(2)25-12-20(14-33)13-26-29(25)41-31(36-26)22-7-5-21(6-8-22)30(38)35-16-24-17-37(32(39)40-24)28-11-9-23(15-34-28)27-10-4-19(3)42-27/h4-13,15,18,24H,16-17H2,1-3H3,(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 955 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342830
(CHEMBL1771131 | cis-N-((4-(3,5-bis(trifluoromethyl...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N |r,wU:22.24,25.31,(-6.91,-30.32,;-7.68,-31.66,;-9.22,-31.66,;-6.91,-32.99,;-7.68,-34.32,;-6.9,-35.66,;-5.36,-35.65,;-4.6,-34.32,;-3.09,-34.01,;-2.94,-32.48,;-4.34,-31.85,;-5.37,-32.99,;-1.61,-31.71,;-.27,-32.48,;1.06,-31.71,;1.06,-30.16,;-.28,-29.39,;-1.6,-30.16,;2.39,-29.38,;2.38,-27.84,;3.73,-30.15,;3.73,-31.69,;5.07,-32.45,;6.39,-31.67,;7.73,-32.45,;7.73,-33.99,;6.39,-34.76,;5.06,-33.99,;9.06,-34.76,;10.39,-33.98,;11.72,-34.75,;11.72,-36.29,;10.39,-37.06,;9.06,-36.29,;10.39,-38.6,;9.05,-39.37,;11.72,-39.37,;10.38,-40.14,;13.05,-33.97,;14.39,-34.74,;13.04,-32.43,;14.13,-32.87,;-7.66,-37,;-8.43,-38.34,)| Show InChI InChI=1S/C33H29F6N3O2/c1-18(2)27-11-20(16-40)12-28-29(27)44-31(42-28)23-9-7-22(8-10-23)30(43)41-17-19-3-5-21(6-4-19)24-13-25(32(34,35)36)15-26(14-24)33(37,38)39/h7-15,18-19,21H,3-6,17H2,1-2H3,(H,41,43)/t19-,21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342840
(CHEMBL1771136 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1C#N)C#N Show InChI InChI=1S/C34H26N6O4/c1-20(2)28-13-21(15-35)14-29-31(28)44-33(39-29)23-9-7-22(8-10-23)32(41)38-18-26-19-40(34(42)43-26)30-12-11-25(17-37-30)27-6-4-3-5-24(27)16-36/h3-14,17,20,26H,18-19H2,1-2H3,(H,38,41) | 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 | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342839
(CHEMBL1771135 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)C(C)=C)C#N Show InChI InChI=1S/C30H27N5O4/c1-17(2)22-9-10-26(32-14-22)35-16-23(38-30(35)37)15-33-28(36)20-5-7-21(8-6-20)29-34-25-12-19(13-31)11-24(18(3)4)27(25)39-29/h5-12,14,18,23H,1,15-16H2,2-4H3,(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342834
(CHEMBL1771127 | cis-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cccc(c1)C(F)(F)F)C#N |r,wU:22.24,25.31,(-8.51,-12.13,;-9.28,-13.46,;-10.82,-13.46,;-8.51,-14.8,;-9.28,-16.13,;-8.5,-17.47,;-6.97,-17.46,;-6.2,-16.13,;-4.7,-15.81,;-4.54,-14.28,;-5.94,-13.65,;-6.97,-14.8,;-3.21,-13.51,;-1.87,-14.29,;-.54,-13.51,;-.54,-11.96,;-1.88,-11.2,;-3.21,-11.97,;.79,-11.19,;.78,-9.65,;2.12,-11.95,;2.13,-13.49,;3.47,-14.26,;4.79,-13.48,;6.12,-14.25,;6.13,-15.79,;4.79,-16.56,;3.46,-15.8,;7.46,-16.56,;7.45,-18.1,;8.79,-18.87,;10.12,-18.1,;10.12,-16.55,;8.78,-15.79,;11.45,-15.78,;12.78,-16.54,;11.44,-14.24,;12.53,-14.68,;-9.26,-18.81,;-10.03,-20.14,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-14-21(17-36)15-28-29(27)40-31(38-28)24-12-10-23(11-13-24)30(39)37-18-20-6-8-22(9-7-20)25-4-3-5-26(16-25)32(33,34)35/h3-5,10-16,19-20,22H,6-9,18H2,1-2H3,(H,37,39)/t20-,22+ | 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 | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342848
((S)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43)/t24-/m0/s1 | 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 | 3.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342832
(CHEMBL1771129 | cis-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cccc(C)c1)C#N |r,wU:22.24,25.31,(-7.19,-20.68,;-7.96,-22.01,;-9.5,-22.01,;-7.19,-23.34,;-7.96,-24.68,;-7.18,-26.01,;-5.64,-26.01,;-4.88,-24.68,;-3.37,-24.36,;-3.22,-22.83,;-4.62,-22.2,;-5.65,-23.35,;-1.89,-22.06,;-.55,-22.83,;.78,-22.06,;.78,-20.51,;-.56,-19.75,;-1.88,-20.52,;2.11,-19.74,;2.1,-18.2,;3.45,-20.5,;3.45,-22.04,;4.79,-22.81,;6.11,-22.03,;7.45,-22.8,;7.45,-24.34,;6.11,-25.11,;4.78,-24.35,;8.78,-25.11,;8.78,-26.65,;10.11,-27.42,;11.44,-26.65,;11.44,-25.1,;12.77,-24.33,;10.11,-24.34,;-7.94,-27.36,;-8.71,-28.69,)| Show InChI InChI=1S/C32H33N3O2/c1-20(2)28-16-23(18-33)17-29-30(28)37-32(35-29)26-13-11-25(12-14-26)31(36)34-19-22-7-9-24(10-8-22)27-6-4-5-21(3)15-27/h4-6,11-17,20,22,24H,7-10,19H2,1-3H3,(H,34,36)/t22-,24+ | 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 | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342841
(CHEMBL1771138 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccc(C)s1)C#N Show InChI InChI=1S/C32H27N5O4S/c1-18(2)25-12-20(14-33)13-26-29(25)41-31(36-26)22-7-5-21(6-8-22)30(38)35-16-24-17-37(32(39)40-24)28-11-9-23(15-34-28)27-10-4-19(3)42-27/h4-13,15,18,24H,16-17H2,1-3H3,(H,35,38) | 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 | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Cholesteryl ester transfer protein
(Homo sapiens (Human)) | BDBM50342827
(CHEMBL1771134 | rac-N-((3-(5-chloropyridin-2-yl)-2...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(Cl)cn1)C#N Show InChI InChI=1S/C27H22ClN5O4/c1-15(2)21-9-16(11-29)10-22-24(21)37-26(32-22)18-5-3-17(4-6-18)25(34)31-13-20-14-33(27(35)36-20)23-8-7-19(28)12-30-23/h3-10,12,15,20H,13-14H2,1-2H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CETP |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342827
(CHEMBL1771134 | rac-N-((3-(5-chloropyridin-2-yl)-2...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(Cl)cn1)C#N Show InChI InChI=1S/C27H22ClN5O4/c1-15(2)21-9-16(11-29)10-22-24(21)37-26(32-22)18-5-3-17(4-6-18)25(34)31-13-20-14-33(27(35)36-20)23-8-7-19(28)12-30-23/h3-10,12,15,20H,13-14H2,1-2H3,(H,31,34) | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342845
((R)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1C[C@@H](CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O |r| Show InChI InChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43)/t27-/m1/s1 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342849
((R)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C35H28F3N5O5/c1-20(2)26-14-21(16-39)15-27-30(26)46-32(42-27)23-10-8-22(9-11-23)31(44)41-18-34(3)19-43(33(45)48-34)29-13-12-24(17-40-29)25-6-4-5-7-28(25)47-35(36,37)38/h4-15,17,20H,18-19H2,1-3H3,(H,41,44)/t34-/m1/s1 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342828
(CHEMBL1771133 | trans-N-((4-(4-chlorophenyl)cycloh...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(Cl)cc1)C#N |r,wU:22.24,wD:25.31,(9.15,-44.24,;8.38,-45.58,;6.84,-45.58,;9.15,-46.91,;8.38,-48.24,;9.15,-49.58,;10.69,-49.57,;11.45,-48.25,;12.96,-47.93,;13.11,-46.4,;11.71,-45.77,;10.68,-46.91,;14.45,-45.63,;15.78,-46.4,;17.12,-45.63,;17.11,-44.08,;15.78,-43.31,;14.45,-44.08,;18.44,-43.3,;18.44,-41.76,;19.78,-44.07,;19.79,-45.61,;21.12,-46.37,;22.44,-45.59,;23.78,-46.37,;23.78,-47.91,;22.45,-48.68,;21.12,-47.91,;25.12,-48.68,;25.11,-50.22,;26.44,-50.99,;27.78,-50.22,;29.11,-50.98,;27.77,-48.67,;26.44,-47.9,;8.39,-50.92,;7.63,-52.26,)| Show InChI InChI=1S/C31H30ClN3O2/c1-19(2)27-15-21(17-33)16-28-29(27)37-31(35-28)25-9-7-24(8-10-25)30(36)34-18-20-3-5-22(6-4-20)23-11-13-26(32)14-12-23/h7-16,19-20,22H,3-6,18H2,1-2H3,(H,34,36)/t20-,22- | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342846
((S)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1C[C@H](CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O |r| Show InChI InChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43)/t27-/m0/s1 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342830
(CHEMBL1771131 | cis-N-((4-(3,5-bis(trifluoromethyl...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N |r,wU:22.24,25.31,(-6.91,-30.32,;-7.68,-31.66,;-9.22,-31.66,;-6.91,-32.99,;-7.68,-34.32,;-6.9,-35.66,;-5.36,-35.65,;-4.6,-34.32,;-3.09,-34.01,;-2.94,-32.48,;-4.34,-31.85,;-5.37,-32.99,;-1.61,-31.71,;-.27,-32.48,;1.06,-31.71,;1.06,-30.16,;-.28,-29.39,;-1.6,-30.16,;2.39,-29.38,;2.38,-27.84,;3.73,-30.15,;3.73,-31.69,;5.07,-32.45,;6.39,-31.67,;7.73,-32.45,;7.73,-33.99,;6.39,-34.76,;5.06,-33.99,;9.06,-34.76,;10.39,-33.98,;11.72,-34.75,;11.72,-36.29,;10.39,-37.06,;9.06,-36.29,;10.39,-38.6,;9.05,-39.37,;11.72,-39.37,;10.38,-40.14,;13.05,-33.97,;14.39,-34.74,;13.04,-32.43,;14.13,-32.87,;-7.66,-37,;-8.43,-38.34,)| Show InChI InChI=1S/C33H29F6N3O2/c1-18(2)27-11-20(16-40)12-28-29(27)44-31(42-28)23-9-7-22(8-10-23)30(43)41-17-19-3-5-21(6-4-19)24-13-25(32(34,35)36)15-26(14-24)33(37,38)39/h7-15,18-19,21H,3-6,17H2,1-2H3,(H,41,43)/t19-,21+ | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342833
(CHEMBL1771128 | trans-4-(5-cyano-7-isopropylbenzo[...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cccc(c1)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(20.88,-12.64,;20.11,-13.97,;18.57,-13.97,;20.88,-15.3,;20.11,-16.64,;20.88,-17.97,;22.42,-17.97,;23.18,-16.64,;24.69,-16.32,;24.84,-14.79,;23.44,-14.16,;22.41,-15.3,;26.18,-14.02,;27.51,-14.79,;28.85,-14.02,;28.84,-12.47,;27.51,-11.7,;26.18,-12.48,;30.17,-11.69,;30.17,-10.15,;31.51,-12.46,;31.51,-14,;32.85,-14.76,;34.17,-13.99,;35.51,-14.76,;35.51,-16.3,;34.18,-17.07,;32.85,-16.3,;36.85,-17.07,;36.84,-18.61,;38.17,-19.38,;39.51,-18.61,;39.5,-17.06,;38.17,-16.3,;40.83,-16.28,;42.17,-17.05,;40.83,-14.74,;41.91,-15.18,;20.12,-19.31,;19.36,-20.65,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-14-21(17-36)15-28-29(27)40-31(38-28)24-12-10-23(11-13-24)30(39)37-18-20-6-8-22(9-7-20)25-4-3-5-26(16-25)32(33,34)35/h3-5,10-16,19-20,22H,6-9,18H2,1-2H3,(H,37,39)/t20-,22- | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342843
(CHEMBL1771140 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)Oc1ccc(F)cc1-c1ccc(nc1)N1CC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O Show InChI InChI=1S/C36H32FN5O5/c1-20(2)28-13-22(16-38)14-30-33(28)47-35(41-30)24-7-5-23(6-8-24)34(43)40-18-27-19-42(36(44)46-27)32-12-9-25(17-39-32)29-15-26(37)10-11-31(29)45-21(3)4/h5-15,17,20-21,27H,18-19H2,1-4H3,(H,40,43) | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342837
(CHEMBL1771124 | trans-N-((4-(4-tert-butylphenyl)cy...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(C)(C)C)C#N |r,wU:22.24,wD:25.31,(19.49,4.45,;18.72,3.12,;17.18,3.12,;19.49,1.79,;18.72,.45,;19.5,-.88,;21.03,-.88,;21.8,.45,;23.3,.77,;23.46,2.3,;22.06,2.93,;21.03,1.78,;24.79,3.07,;26.13,2.3,;27.46,3.07,;27.46,4.62,;26.12,5.38,;24.79,4.61,;28.79,5.39,;28.78,6.93,;30.12,4.63,;30.13,3.09,;31.47,2.32,;32.79,3.1,;34.12,2.33,;34.13,.79,;32.79,.02,;31.46,.78,;35.46,.02,;35.45,-1.52,;36.79,-2.29,;38.12,-1.52,;38.12,.03,;36.78,.79,;39.46,-2.29,;39.46,-3.83,;40.79,-1.51,;40.78,-3.06,;18.74,-2.23,;17.97,-3.56,)| Show InChI InChI=1S/C35H39N3O2/c1-22(2)30-18-24(20-36)19-31-32(30)40-34(38-31)28-12-10-27(11-13-28)33(39)37-21-23-6-8-25(9-7-23)26-14-16-29(17-15-26)35(3,4)5/h10-19,22-23,25H,6-9,21H2,1-5H3,(H,37,39)/t23-,25- | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342829
(CHEMBL1771132 | trans-N-((4-(3,5-bis(trifluorometh...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(22.07,-31.51,;21.3,-32.85,;19.76,-32.85,;22.07,-34.18,;21.3,-35.51,;22.08,-36.85,;23.62,-36.84,;24.38,-35.51,;25.89,-35.2,;26.04,-33.67,;24.64,-33.04,;23.61,-34.18,;27.37,-32.9,;28.71,-33.67,;30.04,-32.9,;30.04,-31.35,;28.7,-30.58,;27.38,-31.35,;31.37,-30.57,;31.36,-29.03,;32.71,-31.34,;32.71,-32.88,;34.05,-33.64,;35.37,-32.86,;36.71,-33.64,;36.71,-35.18,;35.37,-35.95,;34.04,-35.18,;38.04,-35.95,;39.37,-35.17,;40.7,-35.94,;40.7,-37.48,;39.37,-38.25,;38.04,-37.48,;39.37,-39.79,;38.03,-40.56,;40.7,-40.56,;39.36,-41.33,;42.03,-35.16,;43.37,-35.93,;42.02,-33.62,;43.11,-34.06,;21.32,-38.19,;20.55,-39.53,)| Show InChI InChI=1S/C33H29F6N3O2/c1-18(2)27-11-20(16-40)12-28-29(27)44-31(42-28)23-9-7-22(8-10-23)30(43)41-17-19-3-5-21(6-4-19)24-13-25(32(34,35)36)15-26(14-24)33(37,38)39/h7-15,18-19,21H,3-6,17H2,1-2H3,(H,41,43)/t19-,21- | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342836
(CHEMBL1771125 | cis-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(F)(F)F)C#N |r,wU:22.24,25.31,(-7.64,-4.05,;-8.41,-5.38,;-9.95,-5.38,;-7.64,-6.72,;-8.41,-8.05,;-7.63,-9.39,;-6.1,-9.38,;-5.33,-8.05,;-3.83,-7.73,;-3.67,-6.2,;-5.07,-5.57,;-6.1,-6.72,;-2.34,-5.43,;-1,-6.2,;.33,-5.43,;.33,-3.88,;-1.01,-3.12,;-2.34,-3.89,;1.66,-3.11,;1.65,-1.57,;3,-3.87,;3,-5.41,;4.34,-6.18,;5.66,-5.4,;7,-6.17,;7,-7.71,;5.66,-8.48,;4.33,-7.72,;8.33,-8.48,;8.32,-10.02,;9.66,-10.79,;10.99,-10.02,;10.99,-8.47,;9.65,-7.71,;12.33,-10.79,;12.33,-12.33,;13.66,-10.02,;13.65,-11.56,;-8.39,-10.73,;-9.16,-12.06,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-15-21(17-36)16-28-29(27)40-31(38-28)25-9-7-24(8-10-25)30(39)37-18-20-3-5-22(6-4-20)23-11-13-26(14-12-23)32(33,34)35/h7-16,19-20,22H,3-6,18H2,1-2H3,(H,37,39)/t20-,22+ | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342850
((S)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@]1(C)CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C35H28F3N5O5/c1-20(2)26-14-21(16-39)15-27-30(26)46-32(42-27)23-10-8-22(9-11-23)31(44)41-18-34(3)19-43(33(45)48-34)29-13-12-24(17-40-29)25-6-4-5-7-28(25)47-35(36,37)38/h4-15,17,20H,18-19H2,1-3H3,(H,41,44)/t34-/m0/s1 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342847
((R)-4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-(...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N |r| Show InChI InChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43)/t24-/m1/s1 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342842
(CHEMBL1771139 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)Oc1ccc(C)cc1-c1ccc(nc1)N1CC(CNC(=O)c2ccc(cc2)-c2nc3cc(cc(C(C)C)c3o2)C#N)OC1=O Show InChI InChI=1S/C37H35N5O5/c1-21(2)29-15-24(17-38)16-31-34(29)47-36(41-31)26-9-7-25(8-10-26)35(43)40-19-28-20-42(37(44)46-28)33-13-11-27(18-39-33)30-14-23(5)6-12-32(30)45-22(3)4/h6-16,18,21-22,28H,19-20H2,1-5H3,(H,40,43) | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342851
(CHEMBL1771137 | rac-N-((3-(5-(2-carbamoylphenyl)py...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1C(N)=O)C#N Show InChI InChI=1S/C34H28N6O5/c1-19(2)27-13-20(15-35)14-28-30(27)45-33(39-28)22-9-7-21(8-10-22)32(42)38-17-24-18-40(34(43)44-24)29-12-11-23(16-37-29)25-5-3-4-6-26(25)31(36)41/h3-14,16,19,24H,17-18H2,1-2H3,(H2,36,41)(H,38,42) | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342835
(CHEMBL1771126 | trans-4-(5-cyano-7-isopropylbenzo[...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(F)(F)F)C#N |r,wU:22.24,wD:25.31,(20.13,-4.03,;19.36,-5.36,;17.82,-5.36,;20.13,-6.69,;19.36,-8.03,;20.14,-9.36,;21.67,-9.36,;22.43,-8.03,;23.94,-7.71,;24.09,-6.18,;22.7,-5.55,;21.67,-6.69,;25.43,-5.41,;26.76,-6.18,;28.1,-5.41,;28.09,-3.86,;26.76,-3.09,;25.43,-3.87,;29.43,-3.08,;29.42,-1.54,;30.76,-3.85,;30.77,-5.39,;32.1,-6.15,;33.43,-5.38,;34.76,-6.15,;34.76,-7.69,;33.43,-8.46,;32.1,-7.69,;36.1,-8.46,;36.09,-10,;37.42,-10.77,;38.76,-10,;38.75,-8.45,;37.42,-7.69,;40.09,-10.76,;40.1,-12.3,;41.43,-9.99,;41.42,-11.53,;19.37,-10.7,;18.61,-12.04,)| Show InChI InChI=1S/C32H30F3N3O2/c1-19(2)27-15-21(17-36)16-28-29(27)40-31(38-28)25-9-7-24(8-10-25)30(39)37-18-20-3-5-22(6-4-20)23-11-13-26(14-12-23)32(33,34)35/h7-16,19-20,22H,3-6,18H2,1-2H3,(H,37,39)/t20-,22- | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342838
(CHEMBL1771123 | cis-N-((4-(4-tert-butylphenyl)cycl...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@H](CC1)c1ccc(cc1)C(C)(C)C)C#N |r,wU:22.24,25.31,(-7.37,5.12,;-8.14,3.79,;-9.68,3.79,;-7.37,2.45,;-8.14,1.12,;-7.37,-.22,;-5.83,-.21,;-5.07,1.12,;-3.56,1.44,;-3.41,2.97,;-4.81,3.6,;-5.84,2.45,;-2.07,3.74,;-.74,2.97,;.6,3.74,;.59,5.29,;-.74,6.05,;-2.07,5.28,;1.92,6.06,;1.92,7.61,;3.26,5.3,;3.27,3.76,;4.6,2.99,;5.92,3.77,;7.26,3,;7.26,1.46,;5.93,.69,;4.6,1.45,;8.6,.69,;8.59,-.85,;9.92,-1.62,;11.26,-.85,;11.25,.7,;9.92,1.46,;12.59,-1.62,;12.59,-3.16,;13.92,-.85,;13.91,-2.39,;-8.13,-1.56,;-8.89,-2.89,)| Show InChI InChI=1S/C35H39N3O2/c1-22(2)30-18-24(20-36)19-31-32(30)40-34(38-31)28-12-10-27(11-13-28)33(39)37-21-23-6-8-25(9-7-23)26-14-16-29(17-15-26)35(3,4)5/h10-19,22-23,25H,6-9,21H2,1-5H3,(H,37,39)/t23-,25+ | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342831
(CHEMBL1771130 | trans-4-(5-cyano-7-isopropylbenzo[...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)c1cccc(C)c1)C#N |r,wU:22.24,wD:25.31,(21.89,-21.76,;21.12,-23.09,;19.58,-23.09,;21.89,-24.43,;21.12,-25.76,;21.89,-27.1,;23.43,-27.09,;24.19,-25.76,;25.7,-25.44,;25.85,-23.91,;24.45,-23.28,;23.42,-24.43,;27.19,-23.14,;28.52,-23.91,;29.86,-23.14,;29.85,-21.59,;28.52,-20.83,;27.19,-21.6,;31.18,-20.82,;31.18,-19.28,;32.52,-21.58,;32.53,-23.12,;33.86,-23.89,;35.18,-23.11,;36.52,-23.88,;36.52,-25.42,;35.19,-26.19,;33.86,-25.43,;37.86,-26.19,;37.85,-27.73,;39.18,-28.5,;40.52,-27.73,;40.51,-26.18,;41.84,-25.41,;39.18,-25.42,;21.13,-28.44,;20.37,-29.77,)| Show InChI InChI=1S/C32H33N3O2/c1-20(2)28-16-23(18-33)17-29-30(28)37-32(35-29)26-13-11-25(12-14-26)31(36)34-19-22-7-9-24(10-8-22)27-6-4-5-21(3)15-27/h4-6,11-17,20,22,24H,7-10,19H2,1-3H3,(H,34,36)/t22-,24- | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342844
(CHEMBL1771141 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)-c1ccccc1OC(F)(F)F)C#N Show InChI InChI=1S/C34H26F3N5O5/c1-19(2)26-13-20(15-38)14-27-30(26)46-32(41-27)22-9-7-21(8-10-22)31(43)40-17-24-18-42(33(44)45-24)29-12-11-23(16-39-29)25-5-3-4-6-28(25)47-34(35,36)37/h3-14,16,19,24H,17-18H2,1-2H3,(H,40,43) | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50342839
(CHEMBL1771135 | rac-4-(5-cyano-7-isopropylbenzo[d]...)Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CN(C(=O)O1)c1ccc(cn1)C(C)=C)C#N Show InChI InChI=1S/C30H27N5O4/c1-17(2)22-9-10-26(32-14-22)35-16-23(38-30(35)37)15-33-28(36)20-5-7-21(8-6-20)29-34-25-12-19(13-31)11-24(18(3)4)27(25)39-29/h5-12,14,18,23H,1,15-16H2,2-4H3,(H,33,36) | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK cells |
Bioorg Med Chem Lett 21: 2597-600 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.049
BindingDB Entry DOI: 10.7270/Q2XG9RF5 |
More data for this
Ligand-Target Pair | |
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