BDBM281728 (+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluo-3-methylbutanoyl]amino}phenyl)-4-methylpentanoic acid (diastereomer 1)::US10023528, Example 1::US10259776, Example 2

SMILES: CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1

InChI Key: InChIKey=IYIIYLRYFLBIJB-KVCBOLPTSA-N

Data: 3 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 3 hits for monomerid = 281728   

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
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281728 ((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C23H24Cl2F3NO3/c1-12(2)17(11-20(30)31)15-6-9-18(25)19(10-15)29-22(32)21(13(3)23(26,27)28)14-4-7-16(24)8-5-14/h4-10,12-13,17,21H,11H2,1-3H3,(H,29,32)(H,30,31)/t13-,17?,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	22	n/a	n/a	7.5	25
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To carry out the assay, 29 μl of enzyme solution [0-10 nM soluble guanylate cyclase (prepared according to Hönicka et al, J. Mol. Med. 77, 14-23...				US Patent US10023528 (2018) BindingDB Entry DOI: 10.7270/Q21N834J
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281728 ((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C23H24Cl2F3NO3/c1-12(2)17(11-20(30)31)15-6-9-18(25)19(10-15)29-22(32)21(13(3)23(26,27)28)14-4-7-16(24)8-5-14/h4-10,12-13,17,21H,11H2,1-3H3,(H,29,32)(H,30,31)/t13-,17?,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281728 ((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C23H24Cl2F3NO3/c1-12(2)17(11-20(30)31)15-6-9-18(25)19(10-15)29-22(32)21(13(3)23(26,27)28)14-4-7-16(24)8-5-14/h4-10,12-13,17,21H,11H2,1-3H3,(H,29,32)(H,30,31)/t13-,17?,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair