BDBM50210075 CHEMBL3883788

SMILES: Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12

InChI Key: InChIKey=ZVYLYYBRLJOHMS-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50210075   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasminogen (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair