BDBM50063583 CHEMBL3398644

SMILES: Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=MAOCGEBGEDRKAA-UVSILEEUSA-N

Data: 10 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 10 hits for monomerid = 50063583   

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))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 Inhibition of human coagulation factor 11a at 25 degC				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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 Inhibition of plasma kallikrein (unknown origin)				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/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	>1.00E+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 Inhibition of coagulation factor 10a (unknown origin)				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Kallikrein 1 (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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 Inhibition of tissue kallikrein (unknown origin)				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.20E+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 Inhibition of human trypsin at 25 degC				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.30E+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 Inhibition of thrombin (unknown origin)				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.30E+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 Inhibition of coagulation factor 7a (unknown origin)				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 Inhibition of TPA (unknown origin)				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.40E+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 Inhibition of plasmin (unknown origin)				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50063583 (CHEMBL3398644) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H20Cl2N10O/c29-19-8-10-23(40-15-32-38-39-40)17(13-19)7-11-24(41)33-22(12-16-4-2-1-3-5-16)28-34-25(26(30)35-28)18-6-9-20-21(14-18)36-37-27(20)31/h1-11,13-15,22H,12,31H2,(H,33,41)/b11-7+,25-18-/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.50E+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 Inhibition of coagulation factor 9a (unknown origin)				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair