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SMILES: COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC

InChI Key: InChIKey=UVLJQFUMOVICAW-SBUREZEXSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 269884   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apelin receptor


(Homo sapiens (Human))
BDBM269884
PNG
((1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-9.97,-9.05,;-8.43,-9.05,;-7.66,-7.71,;-8.43,-6.38,;-7.66,-5.04,;-6.12,-5.04,;-5.35,-6.38,;-6.12,-7.71,;-4.02,-7.15,;-3.54,-8.61,;-2,-8.61,;-1.52,-7.15,;-.19,-6.38,;1.14,-7.15,;1.91,-8.48,;.37,-8.48,;2.48,-6.38,;2.48,-4.84,;3.81,-7.15,;3.81,-8.69,;5.14,-9.46,;5.14,-11,;6.48,-11.77,;5.14,-6.38,;5.14,-4.84,;6.48,-4.07,;7.81,-4.84,;9.15,-4.07,;7.81,-6.38,;6.48,-7.15,;-2.77,-6.24,;-2.77,-4.52,;-1.39,-3.78,;-.05,-4.55,;1.28,-3.78,;-1.44,-2.21,;-2.77,-1.44,;-4.1,-2.21,;-4.1,-3.75,;-5.44,-4.52,;-6.77,-3.75,)|
Show InChI InChI=1S/C26H31N7O7S/c1-16-14-27-24(28-15-16)23(40-13-12-34)17(2)41(35,36)32-26-31-30-25(18-8-6-11-21(29-18)39-5)33(26)22-19(37-3)9-7-10-20(22)38-4/h6-11,14-15,17,23,34H,12-13H2,1-5H3,(H,31,32)/t17-,23-/m0/s1
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n/an/an/an/a 8.90n/an/a7.5n/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))
BDBM269884
PNG
((1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-9.97,-9.05,;-8.43,-9.05,;-7.66,-7.71,;-8.43,-6.38,;-7.66,-5.04,;-6.12,-5.04,;-5.35,-6.38,;-6.12,-7.71,;-4.02,-7.15,;-3.54,-8.61,;-2,-8.61,;-1.52,-7.15,;-.19,-6.38,;1.14,-7.15,;1.91,-8.48,;.37,-8.48,;2.48,-6.38,;2.48,-4.84,;3.81,-7.15,;3.81,-8.69,;5.14,-9.46,;5.14,-11,;6.48,-11.77,;5.14,-6.38,;5.14,-4.84,;6.48,-4.07,;7.81,-4.84,;9.15,-4.07,;7.81,-6.38,;6.48,-7.15,;-2.77,-6.24,;-2.77,-4.52,;-1.39,-3.78,;-.05,-4.55,;1.28,-3.78,;-1.44,-2.21,;-2.77,-1.44,;-4.1,-2.21,;-4.1,-3.75,;-5.44,-4.52,;-6.77,-3.75,)|
Show InChI InChI=1S/C26H31N7O7S/c1-16-14-27-24(28-15-16)23(40-13-12-34)17(2)41(35,36)32-26-31-30-25(18-8-6-11-21(29-18)39-5)33(26)22-19(37-3)9-7-10-20(22)38-4/h6-11,14-15,17,23,34H,12-13H2,1-5H3,(H,31,32)/t17-,23-/m0/s1
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n/an/an/an/a 0.260n/an/a7.5n/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))
BDBM269884
PNG
((1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-9.97,-9.05,;-8.43,-9.05,;-7.66,-7.71,;-8.43,-6.38,;-7.66,-5.04,;-6.12,-5.04,;-5.35,-6.38,;-6.12,-7.71,;-4.02,-7.15,;-3.54,-8.61,;-2,-8.61,;-1.52,-7.15,;-.19,-6.38,;1.14,-7.15,;1.91,-8.48,;.37,-8.48,;2.48,-6.38,;2.48,-4.84,;3.81,-7.15,;3.81,-8.69,;5.14,-9.46,;5.14,-11,;6.48,-11.77,;5.14,-6.38,;5.14,-4.84,;6.48,-4.07,;7.81,-4.84,;9.15,-4.07,;7.81,-6.38,;6.48,-7.15,;-2.77,-6.24,;-2.77,-4.52,;-1.39,-3.78,;-.05,-4.55,;1.28,-3.78,;-1.44,-2.21,;-2.77,-1.44,;-4.1,-2.21,;-4.1,-3.75,;-5.44,-4.52,;-6.77,-3.75,)|
Show InChI InChI=1S/C26H31N7O7S/c1-16-14-27-24(28-15-16)23(40-13-12-34)17(2)41(35,36)32-26-31-30-25(18-8-6-11-21(29-18)39-5)33(26)22-19(37-3)9-7-10-20(22)38-4/h6-11,14-15,17,23,34H,12-13H2,1-5H3,(H,31,32)/t17-,23-/m0/s1
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n/an/an/an/a 0.260n/an/an/an/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))
BDBM269884
PNG
((1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-9.97,-9.05,;-8.43,-9.05,;-7.66,-7.71,;-8.43,-6.38,;-7.66,-5.04,;-6.12,-5.04,;-5.35,-6.38,;-6.12,-7.71,;-4.02,-7.15,;-3.54,-8.61,;-2,-8.61,;-1.52,-7.15,;-.19,-6.38,;1.14,-7.15,;1.91,-8.48,;.37,-8.48,;2.48,-6.38,;2.48,-4.84,;3.81,-7.15,;3.81,-8.69,;5.14,-9.46,;5.14,-11,;6.48,-11.77,;5.14,-6.38,;5.14,-4.84,;6.48,-4.07,;7.81,-4.84,;9.15,-4.07,;7.81,-6.38,;6.48,-7.15,;-2.77,-6.24,;-2.77,-4.52,;-1.39,-3.78,;-.05,-4.55,;1.28,-3.78,;-1.44,-2.21,;-2.77,-1.44,;-4.1,-2.21,;-4.1,-3.75,;-5.44,-4.52,;-6.77,-3.75,)|
Show InChI InChI=1S/C26H31N7O7S/c1-16-14-27-24(28-15-16)23(40-13-12-34)17(2)41(35,36)32-26-31-30-25(18-8-6-11-21(29-18)39-5)33(26)22-19(37-3)9-7-10-20(22)38-4/h6-11,14-15,17,23,34H,12-13H2,1-5H3,(H,31,32)/t17-,23-/m0/s1
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n/an/an/an/a 0.260n/an/an/an/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))
BDBM269884
PNG
((1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-9.97,-9.05,;-8.43,-9.05,;-7.66,-7.71,;-8.43,-6.38,;-7.66,-5.04,;-6.12,-5.04,;-5.35,-6.38,;-6.12,-7.71,;-4.02,-7.15,;-3.54,-8.61,;-2,-8.61,;-1.52,-7.15,;-.19,-6.38,;1.14,-7.15,;1.91,-8.48,;.37,-8.48,;2.48,-6.38,;2.48,-4.84,;3.81,-7.15,;3.81,-8.69,;5.14,-9.46,;5.14,-11,;6.48,-11.77,;5.14,-6.38,;5.14,-4.84,;6.48,-4.07,;7.81,-4.84,;9.15,-4.07,;7.81,-6.38,;6.48,-7.15,;-2.77,-6.24,;-2.77,-4.52,;-1.39,-3.78,;-.05,-4.55,;1.28,-3.78,;-1.44,-2.21,;-2.77,-1.44,;-4.1,-2.21,;-4.1,-3.75,;-5.44,-4.52,;-6.77,-3.75,)|
Show InChI InChI=1S/C26H31N7O7S/c1-16-14-27-24(28-15-16)23(40-13-12-34)17(2)41(35,36)32-26-31-30-25(18-8-6-11-21(29-18)39-5)33(26)22-19(37-3)9-7-10-20(22)38-4/h6-11,14-15,17,23,34H,12-13H2,1-5H3,(H,31,32)/t17-,23-/m0/s1
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n/an/an/an/a 8.90n/an/an/an/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))
BDBM269884
PNG
((1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...)
Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-9.97,-9.05,;-8.43,-9.05,;-7.66,-7.71,;-8.43,-6.38,;-7.66,-5.04,;-6.12,-5.04,;-5.35,-6.38,;-6.12,-7.71,;-4.02,-7.15,;-3.54,-8.61,;-2,-8.61,;-1.52,-7.15,;-.19,-6.38,;1.14,-7.15,;1.91,-8.48,;.37,-8.48,;2.48,-6.38,;2.48,-4.84,;3.81,-7.15,;3.81,-8.69,;5.14,-9.46,;5.14,-11,;6.48,-11.77,;5.14,-6.38,;5.14,-4.84,;6.48,-4.07,;7.81,-4.84,;9.15,-4.07,;7.81,-6.38,;6.48,-7.15,;-2.77,-6.24,;-2.77,-4.52,;-1.39,-3.78,;-.05,-4.55,;1.28,-3.78,;-1.44,-2.21,;-2.77,-1.44,;-4.1,-2.21,;-4.1,-3.75,;-5.44,-4.52,;-6.77,-3.75,)|
Show InChI InChI=1S/C26H31N7O7S/c1-16-14-27-24(28-15-16)23(40-13-12-34)17(2)41(35,36)32-26-31-30-25(18-8-6-11-21(29-18)39-5)33(26)22-19(37-3)9-7-10-20(22)38-4/h6-11,14-15,17,23,34H,12-13H2,1-5H3,(H,31,32)/t17-,23-/m0/s1
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n/an/an/an/a 8.90n/an/an/an/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