BDBM50000317 3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-propionic acid::3-(3-Imidazol-1-ylmethyl-indol-1-yl)-propionic acid::CHEMBL283656::Dazmegrel::UK-38485

SMILES: Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O

InChI Key: InChIKey=DEQLGSOHGTZKFB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50000317   

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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50000317 (3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...) Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TXA2 synthetase from human platelets				J Med Chem 29: 342-6 (1986) BindingDB Entry DOI: 10.7270/Q2W66JSZ
					More data for this Ligand-Target Pair
Prostaglandin I2 synthase (Homo sapiens (Human))	BDBM50000317 (3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...) Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PGI-2 synthetase from porcine aorta				J Med Chem 29: 342-6 (1986) BindingDB Entry DOI: 10.7270/Q2W66JSZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50000317 (3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...) Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase from ram seminal vesicle microsomes				J Med Chem 29: 342-6 (1986) BindingDB Entry DOI: 10.7270/Q2W66JSZ
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50000317 (3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...) Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Activity against human platelet microsome Thromboxane synthase				J Med Chem 40: 3442-52 (1997) Article DOI: 10.1021/jm9702793 BindingDB Entry DOI: 10.7270/Q2Z0378X
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50000317 (3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...) Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human platelet microsomal TXA2 synthase				Bioorg Med Chem Lett 6: 1691-1696 (1996) Article DOI: 10.1016/0960-894X(96)00299-5 BindingDB Entry DOI: 10.7270/Q27P8ZBS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1 (Rattus norvegicus)	BDBM50000317 (3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-prop...) Show SMILES Cc1c(Cn2ccnc2)c2ccccc2n1CCC(O)=O Show InChI InChI=1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 11 beta-hydroxylase from rat adrenal gland				J Med Chem 29: 342-6 (1986) BindingDB Entry DOI: 10.7270/Q2W66JSZ
					More data for this Ligand-Target Pair