BDBM50537826 CHEMBL4645930

SMILES: [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1ccc(Cl)cc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC

InChI Key: InChIKey=SPXARAJNBIZKNG-XXEPIXAJSA-N

Data: 1 IC50  2 Kd

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 3 hits for monomerid = 50537826   

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 X (Homo sapiens (Human))	BDBM50537826 (CHEMBL4645930) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1ccc(Cl)cc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:6:1.3.2| Show InChI InChI=1S/C29H40ClN3O2S/c1-5-35-24(34)28(4)14-6-13-27(3)21(28)12-16-29-17-23(26(2,18-29)15-11-22(27)29)32-33-25(36)31-20-9-7-19(30)8-10-20/h7-10,21-22H,5-6,11-18H2,1-4H3,(H2,31,33,36)/b32-23+/t21-,22-,26-,27+,28+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50537826 (CHEMBL4645930) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1ccc(Cl)cc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:6:1.3.2| Show InChI InChI=1S/C29H40ClN3O2S/c1-5-35-24(34)28(4)14-6-13-27(3)21(28)12-16-29-17-23(26(2,18-29)15-11-22(27)29)32-33-25(36)31-20-9-7-19(30)8-10-20/h7-10,21-22H,5-6,11-18H2,1-4H3,(H2,31,33,36)/b32-23+/t21-,22-,26-,27+,28+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Binding affinity to factor 10a (unknown origin) by SPR assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50537826 (CHEMBL4645930) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1ccc(Cl)cc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:6:1.3.2| Show InChI InChI=1S/C29H40ClN3O2S/c1-5-35-24(34)28(4)14-6-13-27(3)21(28)12-16-29-17-23(26(2,18-29)15-11-22(27)29)32-33-25(36)31-20-9-7-19(30)8-10-20/h7-10,21-22H,5-6,11-18H2,1-4H3,(H2,31,33,36)/b32-23+/t21-,22-,26-,27+,28+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Binding affinity to factor 10a (unknown origin) assessed as dissociation rate constant by SPR assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair