BDBM50017922 CHEMBL3289025

SMILES: NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NCC2CCC(O)CC2)cc1

InChI Key: InChIKey=JWWYJRJFZRVMBC-UHFFFAOYSA-N

Data: 4 KI

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 = 50017922   

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
Coagulation factor X (Bos taurus)	BDBM50017922 (CHEMBL3289025) Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NCC2CCC(O)CC2)cc1 |(16.42,.39,;15.09,1.16,;15.09,2.7,;13.75,.39,;12.42,1.16,;11.08,.39,;11.08,-1.15,;9.75,-1.92,;9.75,-3.46,;8.42,-4.23,;8.42,-5.77,;7.08,-6.54,;5.75,-5.77,;4.42,-6.54,;3.08,-5.77,;3.08,-4.23,;4.42,-3.46,;5.75,-4.23,;1.75,-3.46,;.41,-4.23,;1.75,-1.92,;9.75,-6.54,;11.08,-5.77,;11.08,-4.23,;12.42,-6.54,;12.42,-8.08,;13.75,-5.77,;15.09,-6.54,;16.42,-5.77,;16.42,-4.23,;17.75,-3.46,;19.09,-4.23,;20.42,-3.46,;19.09,-5.77,;17.75,-6.54,;12.42,-1.92,;13.75,-1.15,)| Show InChI InChI=1S/C28H31N5O4/c29-26(30)18-3-9-22(10-4-18)36-24-13-20(28(35)33-16-17-1-7-21(34)8-2-17)14-25(15-24)37-23-11-5-19(6-12-23)27(31)32/h3-6,9-15,17,21,34H,1-2,7-8,16H2,(H3,29,30)(H3,31,32)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrate				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50017922 (CHEMBL3289025) Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NCC2CCC(O)CC2)cc1 |(16.42,.39,;15.09,1.16,;15.09,2.7,;13.75,.39,;12.42,1.16,;11.08,.39,;11.08,-1.15,;9.75,-1.92,;9.75,-3.46,;8.42,-4.23,;8.42,-5.77,;7.08,-6.54,;5.75,-5.77,;4.42,-6.54,;3.08,-5.77,;3.08,-4.23,;4.42,-3.46,;5.75,-4.23,;1.75,-3.46,;.41,-4.23,;1.75,-1.92,;9.75,-6.54,;11.08,-5.77,;11.08,-4.23,;12.42,-6.54,;12.42,-8.08,;13.75,-5.77,;15.09,-6.54,;16.42,-5.77,;16.42,-4.23,;17.75,-3.46,;19.09,-4.23,;20.42,-3.46,;19.09,-5.77,;17.75,-6.54,;12.42,-1.92,;13.75,-1.15,)| Show InChI InChI=1S/C28H31N5O4/c29-26(30)18-3-9-22(10-4-18)36-24-13-20(28(35)33-16-17-1-7-21(34)8-2-17)14-25(15-24)37-23-11-5-19(6-12-23)27(31)32/h3-6,9-15,17,21,34H,1-2,7-8,16H2,(H3,29,30)(H3,31,32)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50017922 (CHEMBL3289025) Show SMILES NC(=N)c1ccc(Oc2cc(Oc3ccc(cc3)C(N)=N)cc(c2)C(=O)NCC2CCC(O)CC2)cc1 |(16.42,.39,;15.09,1.16,;15.09,2.7,;13.75,.39,;12.42,1.16,;11.08,.39,;11.08,-1.15,;9.75,-1.92,;9.75,-3.46,;8.42,-4.23,;8.42,-5.77,;7.08,-6.54,;5.75,-5.77,;4.42,-6.54,;3.08,-5.77,;3.08,-4.23,;4.42,-3.46,;5.75,-4.23,;1.75,-3.46,;.41,-4.23,;1.75,-1.92,;9.75,-6.54,;11.08,-5.77,;11.08,-4.23,;12.42,-6.54,;12.42,-8.08,;13.75,-5.77,;15.09,-6.54,;16.42,-5.77,;16.42,-4.23,;17.75,-3.46,;19.09,-4.23,;20.42,-3.46,;19.09,-5.77,;17.75,-6.54,;12.42,-1.92,;13.75,-1.15,)| Show InChI InChI=1S/C28H31N5O4/c29-26(30)18-3-9-22(10-4-18)36-24-13-20(28(35)33-16-17-1-7-21(34)8-2-17)14-25(15-24)37-23-11-5-19(6-12-23)27(31)32/h3-6,9-15,17,21,34H,1-2,7-8,16H2,(H3,29,30)(H3,31,32)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human thrombin using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide				Bioorg Med Chem 22: 3187-203 (2014) Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD
					More data for this Ligand-Target Pair