BDBM50204604 CHEMBL3981570

SMILES: Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1

InChI Key: InChIKey=UZZCYFPUQONPSM-HXUWFJFHSA-N

Data: 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 2 hits for monomerid = 50204604   

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
Protein-arginine deiminase type-2 (Homo sapiens (Human))	BDBM50204604 (CHEMBL3981570) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r| Show InChI InChI=1S/C26H29N5O/c1-29-23-11-10-19(26(32)30-12-4-6-20(27)16-30)13-21(23)28-25(29)24-14-18-5-2-3-7-22(18)31(24)15-17-8-9-17/h2-3,5,7,10-11,13-14,17,20H,4,6,8-9,12,15-16,27H2,1H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His/FLAG-tagged recombinant human PAD2 (1 to 665 residues) expressed in baculovirus infected sf9 cells using N-a-benzoyl-L-...				ACS Med Chem Lett 8: 19-21 (2017) Article DOI: 10.1021/acsmedchemlett.6b00515 BindingDB Entry DOI: 10.7270/Q20V8FSZ
					More data for this Ligand-Target Pair
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50204604 (CHEMBL3981570) Show SMILES Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r| Show InChI InChI=1S/C26H29N5O/c1-29-23-11-10-19(26(32)30-12-4-6-20(27)16-30)13-21(23)28-25(29)24-14-18-5-2-3-7-22(18)31(24)15-17-8-9-17/h2-3,5,7,10-11,13-14,17,20H,4,6,8-9,12,15-16,27H2,1H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PAD4 (1 to 663 residues) expressed in Escherichia coli using N-a-benzoyl-L-arginine ethyl ester as substra...				ACS Med Chem Lett 8: 19-21 (2017) Article DOI: 10.1021/acsmedchemlett.6b00515 BindingDB Entry DOI: 10.7270/Q20V8FSZ
					More data for this Ligand-Target Pair