BDBM50346996 CHEMBL1795914

SMILES: Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCC#N)cc(Cl)c1Cl)C1CC1

InChI Key: InChIKey=SBUZQQVTBNOWMS-RTWAWAEBSA-N

Data: 1 KI  2 IC50

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 = 50346996   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50346996 (CHEMBL1795914) Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCC#N)cc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C25H28Cl2N4O2/c1-30-10-7-17(13-23(30)32)20-6-9-29-14-21(20)25(33)31(19-4-5-19)15-18-11-16(3-2-8-28)12-22(26)24(18)27/h7,10-13,19-21,29H,2-6,9,14-15H2,1H3/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50346996 (CHEMBL1795914) Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCC#N)cc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C25H28Cl2N4O2/c1-30-10-7-17(13-23(30)32)20-6-9-29-14-21(20)25(33)31(19-4-5-19)15-18-11-16(3-2-8-28)12-22(26)24(18)27/h7,10-13,19-21,29H,2-6,9,14-15H2,1H3/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr				Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50346996 (CHEMBL1795914) Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCC#N)cc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C25H28Cl2N4O2/c1-30-10-7-17(13-23(30)32)20-6-9-29-14-21(20)25(33)31(19-4-5-19)15-18-11-16(3-2-8-28)12-22(26)24(18)27/h7,10-13,19-21,29H,2-6,9,14-15H2,1H3/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr				Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608
					More data for this Ligand-Target Pair