BDBM269631 (2S)-N-(4-(2,6-dimethoxyphenyl)-5-(4-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide, (2R)-N-(4-(2,6-dimethoxyphenyl)-5-(4-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide::US10058550, Example 145.0::US10221162, Example 145.0::US9845310, Example 145.0

SMILES: COc1ccnc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC

InChI Key: InChIKey=ZCRHXVALOWVXDL-AWEZNQCLSA-N

Data: 5 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 5 hits for monomerid = 269631   

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))	BDBM269631 ((2S)-N-(4-(2,6-dimethoxyphenyl)-5-(4-methoxy-2-pyr...) Show SMILES COc1ccnc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.43,2.57,;-8.89,2.57,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,;-5.81,-.1,;-6.58,1.24,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(10-20-26-12-15(24)13-27-20)37(32,33)30-23-29-28-22(17-11-16(34-2)8-9-25-17)31(23)21-18(35-3)6-5-7-19(21)36-4/h5-9,11-14H,10H2,1-4H3,(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	14	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))	BDBM269631 ((2S)-N-(4-(2,6-dimethoxyphenyl)-5-(4-methoxy-2-pyr...) Show SMILES COc1ccnc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.43,2.57,;-8.89,2.57,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,;-5.81,-.1,;-6.58,1.24,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(10-20-26-12-15(24)13-27-20)37(32,33)30-23-29-28-22(17-11-16(34-2)8-9-25-17)31(23)21-18(35-3)6-5-7-19(21)36-4/h5-9,11-14H,10H2,1-4H3,(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	12	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 (APJ) (Homo sapiens (Human))	BDBM269631 ((2S)-N-(4-(2,6-dimethoxyphenyl)-5-(4-methoxy-2-pyr...) Show SMILES COc1ccnc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.43,2.57,;-8.89,2.57,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,;-5.81,-.1,;-6.58,1.24,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(10-20-26-12-15(24)13-27-20)37(32,33)30-23-29-28-22(17-11-16(34-2)8-9-25-17)31(23)21-18(35-3)6-5-7-19(21)36-4/h5-9,11-14H,10H2,1-4H3,(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	14	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))	BDBM269631 ((2S)-N-(4-(2,6-dimethoxyphenyl)-5-(4-methoxy-2-pyr...) Show SMILES COc1ccnc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.43,2.57,;-8.89,2.57,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,;-5.81,-.1,;-6.58,1.24,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(10-20-26-12-15(24)13-27-20)37(32,33)30-23-29-28-22(17-11-16(34-2)8-9-25-17)31(23)21-18(35-3)6-5-7-19(21)36-4/h5-9,11-14H,10H2,1-4H3,(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	12	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))	BDBM269631 ((2S)-N-(4-(2,6-dimethoxyphenyl)-5-(4-methoxy-2-pyr...) Show SMILES COc1ccnc(c1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.43,2.57,;-8.89,2.57,;-8.12,1.24,;-8.89,-.1,;-8.12,-1.43,;-6.58,-1.43,;-5.81,-.1,;-6.58,1.24,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)| Show InChI InChI=1S/C23H24FN7O5S/c1-14(10-20-26-12-15(24)13-27-20)37(32,33)30-23-29-28-22(17-11-16(34-2)8-9-25-17)31(23)21-18(35-3)6-5-7-19(21)36-4/h5-9,11-14H,10H2,1-4H3,(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	14	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