BDBM50346995 CHEMBL1795913

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

InChI Key: InChIKey=SZTQWKJSSWHXLL-YADHBBJMSA-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 = 50346995   

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))	BDBM50346995 (CHEMBL1795913) Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCC#N)cc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C26H30Cl2N4O2/c1-31-11-8-18(14-24(31)33)21-7-10-30-15-22(21)26(34)32(20-5-6-20)16-19-12-17(4-2-3-9-29)13-23(27)25(19)28/h8,11-14,20-22,30H,2-7,10,15-16H2,1H3/t21-,22+/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	8.40E+3	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))	BDBM50346995 (CHEMBL1795913) Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCC#N)cc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C26H30Cl2N4O2/c1-31-11-8-18(14-24(31)33)21-7-10-30-15-22(21)26(34)32(20-5-6-20)16-19-12-17(4-2-3-9-29)13-23(27)25(19)28/h8,11-14,20-22,30H,2-7,10,15-16H2,1H3/t21-,22+/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	10	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))	BDBM50346995 (CHEMBL1795913) Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCC#N)cc(Cl)c1Cl)C1CC1 |r| Show InChI InChI=1S/C26H30Cl2N4O2/c1-31-11-8-18(14-24(31)33)21-7-10-30-15-22(21)26(34)32(20-5-6-20)16-19-12-17(4-2-3-9-29)13-23(27)25(19)28/h8,11-14,20-22,30H,2-7,10,15-16H2,1H3/t21-,22+/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	4.90	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