BindingDB PrimarySearch

BDBM50096792 CHEMBL3580759

SMILES: CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1

InChI Key: InChIKey=QURJCLPLOGZUQW-ZIMJUVOESA-N

Data: 13 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50096792
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis at 37 degC by spectrophotometry				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of plasma kallikrein (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	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	>1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of urokinase (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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 Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	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	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of coagulation factor 10a (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of coagulation factor 7a (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of coagulation factor 12a (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	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	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of tPA (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Kallikrein-1 (KLK1) (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of tissue kallikrein (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of APC (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50096792 (CHEMBL3580759) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of coagulation factor 9a (unknown origin)				ACS Med Chem Lett 6: 590-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00066 BindingDB Entry DOI: 10.7270/Q2B27X24
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair