BDBM50508419 CHEMBL4471264

SMILES: Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1

InChI Key: InChIKey=RUCYSQLKCYBLDW-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50508419   

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
Uridine-5'-diphosphoglucuronosyltransferase 1A1 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of UGT1A1 in human liver microsomes assessed as reduction in SN-38 glucuronidation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of UGT2B7 in human liver microsomes assessed as reduction in naloxone 3-glucuronidation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
UDP-glucuronosyltransferase 1-9 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of UGT1A9 in human liver microsomes assessed as reduction in mycophenolic acid glucuronidation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A4 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of UGT1A4 in human liver microsomes assessed as reduction in trifluoperazine N-glucuronidation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as reduction in phenacetin-O-deethylation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as reduction in tolbutamide 4-hydroxylation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as reduction in dextromethorphan O-demethylation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
Pyruvate dehydrogenase kinase (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PDK4 (unknown origin)				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes assessed as reduction in midazolam 1'-hydroxylation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as reduction in omeprazole hydroxylation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168
					More data for this Ligand-Target Pair