BDBM370517 1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl)ethyl)piperidin-1-yl)-2-(pyridin-4- yl)ethanone::US10233190, Example 1437

SMILES: OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1

InChI Key: InChIKey=ADXRHXZIAQWYPA-UHFFFAOYSA-N

Data: 6 IC50  1 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 7 hits for monomerid = 370517   

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
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM370517 (1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1 Show InChI InChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q26H4KQM
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM370517 (1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1 Show InChI InChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins b...				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM370517 (1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1 Show InChI InChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as reduction in kynurenine level measured after 16 hrs				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM370517 (1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1 Show InChI InChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM370517 (1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1 Show InChI InChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM370517 (1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1 Show InChI InChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM370517 (1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...) Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1 Show InChI InChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using midazolam as substrate				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662
					More data for this Ligand-Target Pair