BDBM50446788 CHEMBL3114831

SMILES: COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(N)nccc2c1)c1ccc(Cl)c(OC)c1)S(=O)(=O)C(C)C

InChI Key: InChIKey=MKOCYGRBOOMZRC-POURPWNDSA-N

Data: 2 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 2 hits for monomerid = 50446788   

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))	BDBM50446788 (CHEMBL3114831) Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(N)nccc2c1)c1ccc(Cl)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H36ClN5O6S/c1-19(2)46(42,43)29-12-9-23(38-33(41)45-4)18-25(29)27-6-5-15-39(27)32(40)30(21-7-11-26(34)28(17-21)44-3)37-22-8-10-24-20(16-22)13-14-36-31(24)35/h7-14,16-19,27,30,37H,5-6,15H2,1-4H3,(H2,35,36)(H,38,41)/t27-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	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 Binding affinity to F11A (unknown origin) assessed as p-nitroaniline release by spectrophotometric analysis				ACS Med Chem Lett 5: 188-92 (2014) Article DOI: 10.1021/ml400453z BindingDB Entry DOI: 10.7270/Q2T15545
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50446788 (CHEMBL3114831) Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(N)nccc2c1)c1ccc(Cl)c(OC)c1)S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C33H36ClN5O6S/c1-19(2)46(42,43)29-12-9-23(38-33(41)45-4)18-25(29)27-6-5-15-39(27)32(40)30(21-7-11-26(34)28(17-21)44-3)37-22-8-10-24-20(16-22)13-14-36-31(24)35/h7-14,16-19,27,30,37H,5-6,15H2,1-4H3,(H2,35,36)(H,38,41)/t27-,30-/m1/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	3.70E+3	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 Binding affinity to F10A (unknown origin) assessed as p-nitroaniline release by spectrophotometric analysis				ACS Med Chem Lett 5: 188-92 (2014) Article DOI: 10.1021/ml400453z BindingDB Entry DOI: 10.7270/Q2T15545
					More data for this Ligand-Target Pair