BDBM50448610 CHEMBL3127464

SMILES: CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1[C@@H]1C[C@H](c2ccccc2)c2cc(ccc2N1)C(N)=N

InChI Key: InChIKey=VLLIPYLLTCVTAW-JOMNFKBKSA-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 = 50448610   

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))	BDBM50448610 (CHEMBL3127464) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1[C@@H]1C[C@H](c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)23-12-14-25(29(17-23)34(40)41)24-10-6-7-11-26(24)31-18-27(21-8-4-3-5-9-21)28-16-22(32(35)36)13-15-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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))	BDBM50448610 (CHEMBL3127464) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1[C@@H]1C[C@H](c2ccccc2)c2cc(ccc2N1)C(N)=N |r| Show InChI InChI=1S/C34H34N4O3/c1-20(2)19-37-33(39)23-12-14-25(29(17-23)34(40)41)24-10-6-7-11-26(24)31-18-27(21-8-4-3-5-9-21)28-16-22(32(35)36)13-15-30(28)38-31/h3-17,20,27,31,38H,18-19H2,1-2H3,(H3,35,36)(H,37,39)(H,40,41)/t27-,31+/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	1.10E+3	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