BDBM50544291 CHEMBL4633662

SMILES: CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F

InChI Key: InChIKey=WTSYRNAZXPASJF-JLHYYAGUSA-N

Data: 2 IC50  3 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 5 hits for monomerid = 50544291   

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
Bloom syndrome protein (Homo sapiens (Human))	BDBM50544291 (CHEMBL4633662) Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...				J Med Chem 63: 9752-9772 (2020)
					More data for this Ligand-Target Pair
Bloom syndrome protein (Homo sapiens (Human))	BDBM50544291 (CHEMBL4633662) Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of p...				J Med Chem 63: 9752-9772 (2020)
					More data for this Ligand-Target Pair
Bloom syndrome protein (Homo sapiens (Human))	BDBM50544291 (CHEMBL4633662) Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM I1168A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal calorimetric titration...				J Med Chem 63: 9752-9772 (2020)
					More data for this Ligand-Target Pair
Bloom syndrome protein (Homo sapiens (Human))	BDBM50544291 (CHEMBL4633662) Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM H996A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal calorimetric titration ...				J Med Chem 63: 9752-9772 (2020)
					More data for this Ligand-Target Pair
Bloom syndrome protein (Homo sapiens (Human))	BDBM50544291 (CHEMBL4633662) Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CCCl)c(=O)c2cc1F Show InChI InChI=1S/C28H36ClFN4O/c1-5-33(6-2)16-7-15-31-26-19-25-23(18-24(26)30)28(35)34(17-14-29)27(32-25)13-10-21-8-11-22(12-9-21)20(3)4/h8-13,18-20,31H,5-7,14-17H2,1-4H3/b13-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to wild-type His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal cal...				J Med Chem 63: 9752-9772 (2020)
					More data for this Ligand-Target Pair