BDBM23536 3-Carboxamide-coumarin deriv., 22::N-cyclododecyl-6-methyl-2-oxo-2H-chromene-3-carboxamide

SMILES: Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1

InChI Key: InChIKey=VWQOVCCGOGWSCR-UHFFFAOYSA-N

Data: 1 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 5 hits for monomerid = 23536   

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
Factor XIIa (Homo sapiens (Human))	BDBM23536 (3-Carboxamide-coumarin deriv., 22 | N-cyclododecyl...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1 Show InChI InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	7.9	22
University of Namur					Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...				J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM23536 (3-Carboxamide-coumarin deriv., 22 | N-cyclododecyl...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1 Show InChI InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration w...				J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM23536 (3-Carboxamide-coumarin deriv., 22 | N-cyclododecyl...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1 Show InChI InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...				J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM23536 (3-Carboxamide-coumarin deriv., 22 | N-cyclododecyl...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1 Show InChI InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...				J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM23536 (3-Carboxamide-coumarin deriv., 22 | N-cyclododecyl...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1 Show InChI InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration w...				J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH
					More data for this Ligand-Target Pair