BDBM50182880 CHEMBL147741::indole-3-carboxaldehyde

SMILES: O=Cc1c[nH]c2ccccc12

InChI Key: InChIKey=OLNJUISKUQQNIM-UHFFFAOYSA-N

Data: 1 KI  4 IC50

PDB links: 4 PDB IDs match this monomer.

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 = 50182880   

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
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50182880 (CHEMBL147741 | indole-3-carboxaldehyde) Show SMILES O=Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Thymidylate synthase (TS) (Leishmania major)	BDBM50182880 (CHEMBL147741 | indole-3-carboxaldehyde) Show SMILES O=Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jm1010572 BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50182880 (CHEMBL147741 | indole-3-carboxaldehyde) Show SMILES O=Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jm1010572 BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50182880 (CHEMBL147741 | indole-3-carboxaldehyde) Show SMILES O=Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay				Bioorg Med Chem 22: 6655-64 (2015) Article DOI: 10.1016/j.bmc.2014.10.001 BindingDB Entry DOI: 10.7270/Q2V40WT8
					More data for this Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50182880 (CHEMBL147741 | indole-3-carboxaldehyde) Show SMILES O=Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of IMPDH2				Bioorg Med Chem Lett 16: 2535-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.089 BindingDB Entry DOI: 10.7270/Q2PN9570
					More data for this Ligand-Target Pair