BDBM50126164 CHEMBL3416132

SMILES: Clc1ccc2CCNC(=O)c2c1

InChI Key: InChIKey=NMZRTRAYSHQMPR-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50126164   

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 III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50126164 (CHEMBL3416132) Show SMILES Clc1ccc2CCNC(=O)c2c1 Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	8.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins				ACS Med Chem Lett 7: 1077-1081 (2016) Article DOI: 10.1021/acsmedchemlett.6b00282 BindingDB Entry DOI: 10.7270/Q2GB2613
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50126164 (CHEMBL3416132) Show SMILES Clc1ccc2CCNC(=O)c2c1 Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	8.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...				J Med Chem 58: 2799-808 (2015) Article DOI: 10.1021/jm501982k BindingDB Entry DOI: 10.7270/Q28D007C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50126164 (CHEMBL3416132) Show SMILES Clc1ccc2CCNC(=O)c2c1 Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health& Science University Curated by ChEMBL					Assay Description Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate				Bioorg Med Chem Lett 25: 4770-3 (2015) BindingDB Entry DOI: 10.7270/Q23R0VQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50126164 (CHEMBL3416132) Show SMILES Clc1ccc2CCNC(=O)c2c1 Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health& Science University Curated by ChEMBL					Assay Description Inhibition of PARP-10 (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate				Bioorg Med Chem Lett 25: 4770-3 (2015) BindingDB Entry DOI: 10.7270/Q23R0VQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50126164 (CHEMBL3416132) Show SMILES Clc1ccc2CCNC(=O)c2c1 Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health& Science University Curated by ChEMBL					Assay Description Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate				Bioorg Med Chem Lett 25: 4770-3 (2015) BindingDB Entry DOI: 10.7270/Q23R0VQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50126164 (CHEMBL3416132) Show SMILES Clc1ccc2CCNC(=O)c2c1 Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oregon Health& Science University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) by fluorescence analysis				Bioorg Med Chem Lett 25: 4770-3 (2015) BindingDB Entry DOI: 10.7270/Q23R0VQW
					More data for this Ligand-Target Pair