BDBM269901 (2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-hydroxy-4,4-dimethyl-2-pentanesulfonamide or (2R,3S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-hydroxy-4,4-dimethyl-2-pentanesulfonamide::US10058550, Example 434.0::US10058550, Example 437.0::US10221162, Example 437.0::US9845310, Example 437.0

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

InChI Key: InChIKey=ASTQDODMZCCPAQ-JLTOFOAXSA-N

Data: 6 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 6 hits for monomerid = 269901   

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))	BDBM269901 ((2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)| Show InChI InChI=1S/C23H31N5O6S/c1-14(20(29)23(2,3)4)35(30,31)27-22-26-25-21(15-10-8-13-18(24-15)34-7)28(22)19-16(32-5)11-9-12-17(19)33-6/h8-14,20,29H,1-7H3,(H,26,27)/t14-,20-/m1/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	120	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))	BDBM269901 ((2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)| Show InChI InChI=1S/C23H31N5O6S/c1-14(20(29)23(2,3)4)35(30,31)27-22-26-25-21(15-10-8-13-18(24-15)34-7)28(22)19-16(32-5)11-9-12-17(19)33-6/h8-14,20,29H,1-7H3,(H,26,27)/t14-,20-/m1/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	31	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))	BDBM269901 ((2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)| Show InChI InChI=1S/C23H31N5O6S/c1-14(20(29)23(2,3)4)35(30,31)27-22-26-25-21(15-10-8-13-18(24-15)34-7)28(22)19-16(32-5)11-9-12-17(19)33-6/h8-14,20,29H,1-7H3,(H,26,27)/t14-,20-/m1/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	31	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))	BDBM269901 ((2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)| Show InChI InChI=1S/C23H31N5O6S/c1-14(20(29)23(2,3)4)35(30,31)27-22-26-25-21(15-10-8-13-18(24-15)34-7)28(22)19-16(32-5)11-9-12-17(19)33-6/h8-14,20,29H,1-7H3,(H,26,27)/t14-,20-/m1/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	31	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))	BDBM269901 ((2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)| Show InChI InChI=1S/C23H31N5O6S/c1-14(20(29)23(2,3)4)35(30,31)27-22-26-25-21(15-10-8-13-18(24-15)34-7)28(22)19-16(32-5)11-9-12-17(19)33-6/h8-14,20,29H,1-7H3,(H,26,27)/t14-,20-/m1/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	120	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))	BDBM269901 ((2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-metho...) Show SMILES COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)| Show InChI InChI=1S/C23H31N5O6S/c1-14(20(29)23(2,3)4)35(30,31)27-22-26-25-21(15-10-8-13-18(24-15)34-7)28(22)19-16(32-5)11-9-12-17(19)33-6/h8-14,20,29H,1-7H3,(H,26,27)/t14-,20-/m1/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	120	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