Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.4 BDBM212462

Wt: 392.4 BDBM212465

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM212465 (US10155731, Example 9 | US9278944, 9) Show SMILES COCCCOc1cc(OC)cc(c1)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H32N2O5/c1-15(23(17-5-6-17)21(24)20-14-22-7-10-28-20)16-11-18(26-3)13-19(12-16)27-9-4-8-25-2/h11-13,15,17,20,22H,4-10,14H2,1-3H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFHLVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotome...				US Patent US9278944 (2016) BindingDB Entry DOI: 10.7270/Q20V8BMG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212465 (US10155731, Example 9 | US9278944, 9) Show SMILES COCCCOc1cc(OC)cc(c1)[C@@H](C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H32N2O5/c1-15(23(17-5-6-17)21(24)20-14-22-7-10-28-20)16-11-18(26-3)13-19(12-16)27-9-4-8-25-2/h11-13,15,17,20,22H,4-10,14H2,1-3H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212462 (US10155731, Example 6 | US9278944, 6) Show SMILES COCCCOc1cc(OC)cc(c1)C(C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H32N2O5/c1-15(23(17-5-6-17)21(24)20-14-22-7-10-28-20)16-11-18(26-3)13-19(12-16)27-9-4-8-25-2/h11-13,15,17,20,22H,4-10,14H2,1-3H3/t15?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212462 (US10155731, Example 6 | US9278944, 6) Show SMILES COCCCOc1cc(OC)cc(c1)C(C)N(C1CC1)C(=O)[C@H]1CNCCO1 |r| Show InChI InChI=1S/C21H32N2O5/c1-15(23(17-5-6-17)21(24)20-14-22-7-10-28-20)16-11-18(26-3)13-19(12-16)27-9-4-8-25-2/h11-13,15,17,20,22H,4-10,14H2,1-3H3/t15?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFHLVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotome...				US Patent US9278944 (2016) BindingDB Entry DOI: 10.7270/Q20V8BMG
					More data for this Ligand-Target Pair