BDBM22986 18-[6-(piperidin-1-yl)hexyl]-8-thia-18-azatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2(7),3,5,12(17),13,15-heptaene::N-substituted tetracyclic indole::Tetracyclic indole derivative, 5

SMILES: C(CCCn1c-2c(CCSc3ccccc-23)c2ccccc12)CCN1CCCCC1

InChI Key: InChIKey=WXHMGIPWTRAKMK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 22986   

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
DNA Ligase (MtuLigA) (Mycobacterium tuberculosis)	BDBM22986 (18-[6-(piperidin-1-yl)hexyl]-8-thia-18-azatetracyc...) Show SMILES C(CCCn1c-2c(CCSc3ccccc-23)c2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C27H34N2S/c1(8-17-28-18-9-3-10-19-28)2-11-20-29-25-14-6-4-12-22(25)23-16-21-30-26-15-7-5-13-24(26)27(23)29/h4-7,12-15H,1-3,8-11,16-21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	8.0	25
India Central Drug Research Institute					Assay Description The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...				Proteins 69: 97-111 (2007) Article DOI: 10.1002/prot.21457 BindingDB Entry DOI: 10.7270/Q2P55KSS
					More data for this Ligand-Target Pair
DNA Ligase (MtuLigA) (Mycobacterium tuberculosis)	BDBM22986 (18-[6-(piperidin-1-yl)hexyl]-8-thia-18-azatetracyc...) Show SMILES C(CCCn1c-2c(CCSc3ccccc-23)c2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C27H34N2S/c1(8-17-28-18-9-3-10-19-28)2-11-20-29-25-14-6-4-12-22(25)23-16-21-30-26-15-7-5-13-24(26)27(23)29/h4-7,12-15H,1-3,8-11,16-21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute					Assay Description All assays have been carried out using procedures previously described by our group (Srivastava et al., 2005a; 2005b; 2007)				Medicinal Chemistry Research 17: 189-198 (2008) BindingDB Entry DOI: 10.7270/Q2PG1QB6
					More data for this Ligand-Target Pair
DNA Ligase I (Homo sapiens (Human))	BDBM22986 (18-[6-(piperidin-1-yl)hexyl]-8-thia-18-azatetracyc...) Show SMILES C(CCCn1c-2c(CCSc3ccccc-23)c2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C27H34N2S/c1(8-17-28-18-9-3-10-19-28)2-11-20-29-25-14-6-4-12-22(25)23-16-21-30-26-15-7-5-13-24(26)27(23)29/h4-7,12-15H,1-3,8-11,16-21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+5	n/a	n/a	n/a	n/a	8.0	25
India Central Drug Research Institute					Assay Description The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...				Proteins 69: 97-111 (2007) Article DOI: 10.1002/prot.21457 BindingDB Entry DOI: 10.7270/Q2P55KSS
					More data for this Ligand-Target Pair
Bacteriophage T4 DNA Ligase (Bacteriophage T4)	BDBM22986 (18-[6-(piperidin-1-yl)hexyl]-8-thia-18-azatetracyc...) Show SMILES C(CCCn1c-2c(CCSc3ccccc-23)c2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C27H34N2S/c1(8-17-28-18-9-3-10-19-28)2-11-20-29-25-14-6-4-12-22(25)23-16-21-30-26-15-7-5-13-24(26)27(23)29/h4-7,12-15H,1-3,8-11,16-21H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+5	n/a	n/a	n/a	n/a	7.6	25
India Central Drug Research Institute					Assay Description The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...				Proteins 69: 97-111 (2007) Article DOI: 10.1002/prot.21457 BindingDB Entry DOI: 10.7270/Q2P55KSS
					More data for this Ligand-Target Pair