BDBM50448605 CHEMBL3127469

SMILES: NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O

InChI Key: InChIKey=PMWRXNVWMBGPGS-KCWPFWIISA-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 = 50448605   

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))	BDBM50448605 (CHEMBL3127469) Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C30H25N3O4/c31-28(32)20-10-12-26-24(14-20)23(17-5-2-1-3-6-17)16-27(33-26)19-8-4-7-18(13-19)22-11-9-21(29(34)35)15-25(22)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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))	BDBM50448605 (CHEMBL3127469) Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C30H25N3O4/c31-28(32)20-10-12-26-24(14-20)23(17-5-2-1-3-6-17)16-27(33-26)19-8-4-7-18(13-19)22-11-9-21(29(34)35)15-25(22)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)/t23-,27+/m1/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	130	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