BDBM269601 (2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide, (2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide::US10058550, Example 115.0::US9845310, Example 117.0

SMILES: COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC

InChI Key: InChIKey=ZVUNMEZIUWSWBG-AWEZNQCLSA-N

Data: 4 EC50

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 4 hits for monomerid = 269601   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Apelin receptor (Homo sapiens (Human))	BDBM269601 ((2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyr...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,;-4.36,3.99,;-3.02,4.76,;-1.69,3.99,;-1.69,2.45,;-.36,1.68,;.98,2.45,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(11-19-25-12-15(24)13-26-19)37(32,33)30-23-29-28-22(16-7-5-10-20(27-16)36-4)31(23)21-17(34-2)8-6-9-18(21)35-3/h5-10,12-14H,11H2,1-4H3,(H,29,30)/t14-/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	0.180	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 (APJ) (Homo sapiens (Human))	BDBM269601 ((2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyr...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,;-4.36,3.99,;-3.02,4.76,;-1.69,3.99,;-1.69,2.45,;-.36,1.68,;.98,2.45,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(11-19-25-12-15(24)13-26-19)37(32,33)30-23-29-28-22(16-7-5-10-20(27-16)36-4)31(23)21-17(34-2)8-6-9-18(21)35-3/h5-10,12-14H,11H2,1-4H3,(H,29,30)/t14-/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	1.27	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 (APJ) (Homo sapiens (Human))	BDBM269601 ((2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyr...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,;-4.36,3.99,;-3.02,4.76,;-1.69,3.99,;-1.69,2.45,;-.36,1.68,;.98,2.45,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(11-19-25-12-15(24)13-26-19)37(32,33)30-23-29-28-22(16-7-5-10-20(27-16)36-4)31(23)21-17(34-2)8-6-9-18(21)35-3/h5-10,12-14H,11H2,1-4H3,(H,29,30)/t14-/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	0.25	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 (APJ) (Homo sapiens (Human))	BDBM269601 ((2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyr...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,;-4.36,3.99,;-3.02,4.76,;-1.69,3.99,;-1.69,2.45,;-.36,1.68,;.98,2.45,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(11-19-25-12-15(24)13-26-19)37(32,33)30-23-29-28-22(16-7-5-10-20(27-16)36-4)31(23)21-17(34-2)8-6-9-18(21)35-3/h5-10,12-14H,11H2,1-4H3,(H,29,30)/t14-/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	0.180	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