BDBM50429807 CHEMBL2337674

SMILES: NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1

InChI Key: InChIKey=WINLUFCVTCWULP-FQEVSTJZSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50429807   

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
Prothrombin (Homo sapiens (Human))	BDBM50429807 (CHEMBL2337674) Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 ...				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50429807 (CHEMBL2337674) Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/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	5.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using S-2222 as susbtrate preincubated with enzyme for 15 mins prior to substrate addition measured every 1...				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50429807 (CHEMBL2337674) Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50429807 (CHEMBL2337674) Show SMILES NC(=N)c1ccc(OC[C@H]2COc3ccc(cc3O2)N(Cc2ccccc2)C(=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H23N3O6/c26-23(27)17-6-9-19(10-7-17)32-14-20-15-33-21-11-8-18(12-22(21)34-20)28(24(29)25(30)31)13-16-4-2-1-3-5-16/h1-12,20H,13-15H2,(H3,26,27)(H,30,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay				Eur J Med Chem 62: 329-40 (2013) Article DOI: 10.1016/j.ejmech.2013.01.002 BindingDB Entry DOI: 10.7270/Q2445NTR
					More data for this Ligand-Target Pair