BDBM50514764 CHEMBL4552751

SMILES: Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1

InChI Key: InChIKey=OUAZWUKQRHZQNC-CABCVRRESA-N

Data: 9 EC50

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 9 hits for monomerid = 50514764   

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
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant human TREK1 G275C mutant expressed in HEK293T cells assessed as increase in K+ current amplitude in presence of MTSET by wh...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant human TREK1 expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophys...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair
TREK-2 two-pore-domain K+ channel (Mus musculus)	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant mouse TREK2 expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophys...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.57E+3	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant human TREK1 T156A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.91E+3	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant human TREK1 W290A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant human TREK1 G275C mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 4 (Homo sapiens (Human))	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant human TRAAK expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophys...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant human TREK1 F149A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1) (Homo sapiens (Human))	BDBM50514764 (CHEMBL4552751) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.98E+3	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Activation of recombinant human TREK1 I293A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clam...				J Med Chem 63: 3665-3677 (2020) Article DOI: 10.1021/acs.jmedchem.9b02163
					More data for this Ligand-Target Pair