BDBM50017926 CHEMBL3289019

SMILES: CC1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1

InChI Key: InChIKey=KHXUOGWJZOGGLO-UHFFFAOYSA-N

Data: 5 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 = 50017926   

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)	BDBM50017926 (CHEMBL3289019) Show SMILES CC1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |(22.23,-8.98,;20.89,-8.21,;20.89,-6.67,;19.56,-5.9,;18.23,-6.67,;18.23,-8.21,;19.56,-8.98,;16.89,-5.9,;15.56,-6.67,;15.56,-8.21,;14.22,-5.9,;14.22,-4.36,;12.89,-3.59,;12.89,-2.05,;14.22,-1.28,;14.22,.26,;15.56,1.03,;16.89,.26,;16.89,-1.28,;15.56,-2.05,;18.23,1.03,;19.56,.26,;18.23,2.57,;11.56,-4.36,;11.56,-5.9,;10.22,-6.67,;8.89,-5.9,;7.56,-6.67,;6.22,-5.9,;6.22,-4.36,;7.56,-3.59,;8.89,-4.36,;4.89,-3.59,;3.55,-4.36,;4.89,-2.05,;12.89,-6.67,)| Show InChI InChI=1S/C28H31N5O3/c1-17-2-8-21(9-3-17)33-28(34)20-14-24(35-22-10-4-18(5-11-22)26(29)30)16-25(15-20)36-23-12-6-19(7-13-23)27(31)32/h4-7,10-17,21H,2-3,8-9H2,1H3,(H3,29,30)(H3,31,32)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	282	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
Prothrombin (Homo sapiens (Human))	BDBM50017926 (CHEMBL3289019) Show SMILES CC1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |(22.23,-8.98,;20.89,-8.21,;20.89,-6.67,;19.56,-5.9,;18.23,-6.67,;18.23,-8.21,;19.56,-8.98,;16.89,-5.9,;15.56,-6.67,;15.56,-8.21,;14.22,-5.9,;14.22,-4.36,;12.89,-3.59,;12.89,-2.05,;14.22,-1.28,;14.22,.26,;15.56,1.03,;16.89,.26,;16.89,-1.28,;15.56,-2.05,;18.23,1.03,;19.56,.26,;18.23,2.57,;11.56,-4.36,;11.56,-5.9,;10.22,-6.67,;8.89,-5.9,;7.56,-6.67,;6.22,-5.9,;6.22,-4.36,;7.56,-3.59,;8.89,-4.36,;4.89,-3.59,;3.55,-4.36,;4.89,-2.05,;12.89,-6.67,)| Show InChI InChI=1S/C28H31N5O3/c1-17-2-8-21(9-3-17)33-28(34)20-14-24(35-22-10-4-18(5-11-22)26(29)30)16-25(15-20)36-23-12-6-19(7-13-23)27(31)32/h4-7,10-17,21H,2-3,8-9H2,1H3,(H3,29,30)(H3,31,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	744	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
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50017926 (CHEMBL3289019) Show SMILES CC1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |(22.23,-8.98,;20.89,-8.21,;20.89,-6.67,;19.56,-5.9,;18.23,-6.67,;18.23,-8.21,;19.56,-8.98,;16.89,-5.9,;15.56,-6.67,;15.56,-8.21,;14.22,-5.9,;14.22,-4.36,;12.89,-3.59,;12.89,-2.05,;14.22,-1.28,;14.22,.26,;15.56,1.03,;16.89,.26,;16.89,-1.28,;15.56,-2.05,;18.23,1.03,;19.56,.26,;18.23,2.57,;11.56,-4.36,;11.56,-5.9,;10.22,-6.67,;8.89,-5.9,;7.56,-6.67,;6.22,-5.9,;6.22,-4.36,;7.56,-3.59,;8.89,-4.36,;4.89,-3.59,;3.55,-4.36,;4.89,-2.05,;12.89,-6.67,)| Show InChI InChI=1S/C28H31N5O3/c1-17-2-8-21(9-3-17)33-28(34)20-14-24(35-22-10-4-18(5-11-22)26(29)30)16-25(15-20)36-23-12-6-19(7-13-23)27(31)32/h4-7,10-17,21H,2-3,8-9H2,1H3,(H3,29,30)(H3,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	770	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