Found 4 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM269571' 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 |
Apelin receptor
(Homo sapiens (Human)) | BDBM269571
((2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(2-methyl-4-p...)Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccnc(C)c1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)| Show InChI InChI=1S/C25H29N7O4S/c1-15-13-27-23(28-14-15)17(3)18(4)37(33,34)31-25-30-29-24(19-10-11-26-16(2)12-19)32(25)22-20(35-5)8-7-9-21(22)36-6/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 5.20 | n/a | n/a | 7.5 | n/a |
AMGEN INC.
US Patent
| Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV¿-3 expression vector (Si... |
US Patent US10058550 (2018)
BindingDB Entry DOI: 10.7270/Q26T0PP0 |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269571
((2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(2-methyl-4-p...)Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccnc(C)c1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)| Show InChI InChI=1S/C25H29N7O4S/c1-15-13-27-23(28-14-15)17(3)18(4)37(33,34)31-25-30-29-24(19-10-11-26-16(2)12-19)32(25)22-20(35-5)8-7-9-21(22)36-6/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig... |
US Patent US9845310 (2017)
BindingDB Entry DOI: 10.7270/Q28P62TV |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269571
((2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(2-methyl-4-p...)Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccnc(C)c1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)| Show InChI InChI=1S/C25H29N7O4S/c1-15-13-27-23(28-14-15)17(3)18(4)37(33,34)31-25-30-29-24(19-10-11-26-16(2)12-19)32(25)22-20(35-5)8-7-9-21(22)36-6/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si... |
US Patent US10221162 (2019)
BindingDB Entry DOI: 10.7270/Q2ZK5JXS |
More data for this Ligand-Target Pair | |
Apelin receptor
(Homo sapiens (Human)) | BDBM269571
((2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(2-methyl-4-p...)Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccnc(C)c1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)| Show InChI InChI=1S/C25H29N7O4S/c1-15-13-27-23(28-14-15)17(3)18(4)37(33,34)31-25-30-29-24(19-10-11-26-16(2)12-19)32(25)22-20(35-5)8-7-9-21(22)36-6/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a |
AMGEN INC.
US Patent
| Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV™-3 expression vector (Si... |
US Patent US10221162 (2019)
BindingDB Entry DOI: 10.7270/Q2ZK5JXS |
More data for this Ligand-Target Pair | |