BDBM50448592 CHEMBL3127482

SMILES: CN(C)Cc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O

InChI Key: InChIKey=OEWWUNXHZFVOFC-BZKUTMRRSA-N

Data: 2 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 2 hits for monomerid = 50448592   

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 XI (Homo sapiens (Human))	BDBM50448592 (CHEMBL3127482) Show SMILES CN(C)Cc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C33H34N4O2/c1-33(25-10-5-4-6-11-25)19-30(36-29-15-13-24(31(34)35)18-28(29)33)23-9-7-8-22(17-23)26-14-12-21(20-37(2)3)16-27(26)32(38)39/h4-18,30,36H,19-20H2,1-3H3,(H3,34,35)(H,38,39)/t30-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	466	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis				J Med Chem 57: 955-69 (2014) Article DOI: 10.1021/jm401670x BindingDB Entry DOI: 10.7270/Q2G44RTQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50448592 (CHEMBL3127482) Show SMILES CN(C)Cc1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r| Show InChI InChI=1S/C33H34N4O2/c1-33(25-10-5-4-6-11-25)19-30(36-29-15-13-24(31(34)35)18-28(29)33)23-9-7-8-22(17-23)26-14-12-21(20-37(2)3)16-27(26)32(38)39/h4-18,30,36H,19-20H2,1-3H3,(H3,34,35)(H,38,39)/t30-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis				J Med Chem 57: 955-69 (2014) Article DOI: 10.1021/jm401670x BindingDB Entry DOI: 10.7270/Q2G44RTQ
					More data for this Ligand-Target Pair