BDBM50029417 CHEMBL277363::[4-(4-Methoxy-phenyl)-4H-benzo[b]pyrrolo[1,2-d][1,4]thiazin-1-ylmethyl]-dimethyl-amine

SMILES: COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12

InChI Key: InChIKey=TYMAXGQYKWRKGX-UHFFFAOYSA-N

Data: 2 KI  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 6 hits for monomerid = 50029417   

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
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50029417 (CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...) Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12 Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]nitrendipine from calcium channel receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q2F47RB8
					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM50029417 (CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...) Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12 Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Calcium antagonistic activity by measuring [3H]-nitrendipine displacement from rat heart L-type [Ca2+] channel				J Med Chem 38: 4393-410 (1995) BindingDB Entry DOI: 10.7270/Q24M93JW
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50029417 (CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...) Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12 Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]nitrendipine from calcium channel receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q2F47RB8
					More data for this Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex (Rattus norvegicus)	BDBM50029417 (CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...) Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12 Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Universita' degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50				J Med Chem 40: 125-31 (1997) Article DOI: 10.1021/jm9605647 BindingDB Entry DOI: 10.7270/Q2JQ128M
					More data for this Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50029417 (CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...) Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12 Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.				J Med Chem 39: 2922-38 (1996) Article DOI: 10.1021/jm960162z BindingDB Entry DOI: 10.7270/Q2HH6KQ5
					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM50029417 (CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...) Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12 Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate				J Med Chem 39: 2922-38 (1996) Article DOI: 10.1021/jm960162z BindingDB Entry DOI: 10.7270/Q2HH6KQ5
					More data for this Ligand-Target Pair