Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50018528   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609199 (CHEMBL5279173) Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)c1cccnc1-c1ccncn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609193 (CHEMBL5288661) Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)c1cc(Cl)ccc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609182 (CHEMBL5276973) Show SMILES Cc1ccc(-c2ccncc2)c(c1)C(=O)N1CCC(O)(Cc2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609197 (CHEMBL5282804) Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)c1ccccc1-c1ccncn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609191 (CHEMBL5271033) Show SMILES Cc1ccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c(c1)-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609194 (CHEMBL5269674) Show SMILES COc1ccc(-c2ccncc2)c(c1)C(=O)N1CCC(O)(Cc2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609189 (CHEMBL5289771) Show SMILES Cc1ccc(c(c1)C(=O)N1CCC(O)(Cc2ccccc2)CC1)-c1ccncc1C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609195 (CHEMBL5284673) Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)c1cc(F)ccc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50583519 (OV-935 | OV935 | SOTICLESTAT | Soticlestat | TAK-9...) Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)c1cccnc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609192 (CHEMBL5275089) Show SMILES Cc1cccc(-c2ccncc2)c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609196 (CHEMBL5275183) Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)c1ccccc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609181 (CHEMBL5286208) Show SMILES Cc1ccc(-c2ccncc2)c(c1)C(=O)N1CCC(Cc2ccccc2)C(O)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609188 (CHEMBL5274224) Show SMILES Cc1ccc(c(c1)C(=O)N1CCC(O)(Cc2ccccc2)CC1)-c1ccncc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609198 (CHEMBL5269081) Show SMILES OC1(Cc2ccccn2)CCN(CC1)C(=O)c1ccccc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609201 (CHEMBL5272679) Show SMILES OC1(Cc2ccccn2)CCN(CC1)C(=O)c1ccccc1-c1ccncn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609203 (CHEMBL5285548) Show SMILES Cc1ccccc1C1=NN(C(=O)c2ccncc2)C(C)(C)C1 |t:8| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609183 (CHEMBL5282243) Show SMILES COC1(Cc2ccccc2)CCN(CC1)C(=O)c1cc(C)ccc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609180 (CHEMBL5267408) Show SMILES Cc1ccc(-c2ccncc2)c(c1)C(=O)N1CCN(Cc2ccccc2)C(=O)C1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609178 (CHEMBL5288871) Show SMILES Cc1ccc(-c2ccncc2)c(c1)C(=O)N1CCN(Cc2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609200 (CHEMBL5269664) Show SMILES OC1(Cc2ccccn2)CCN(CC1)C(=O)c1cccnc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609177 (CHEMBL5288993) Show SMILES Cc1ccc(-c2ccncc2)c(c1)C(=O)N1CCC(Cc2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609190 (CHEMBL5275961) Show SMILES Cc1cccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609202 (CHEMBL5266978) Show SMILES OC1(CC(=NN1C(=O)c1ccncc1)c1ccccc1)C(F)(F)F |c:3| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609185 (CHEMBL5291094) Show SMILES CCC1(O)CCN(CC1)C(=O)c1cc(C)ccc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609186 (CHEMBL5285292) Show SMILES Cc1ccc(-c2ccncc2)c(c1)C(=O)N1CCC(O)(CC1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609204 (CHEMBL5272278) Show SMILES COC(=O)c1cc(C)ccc1-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609184 (CHEMBL5278891) Show SMILES Cc1ccc(-c2ccncc2)c(c1)C(=O)N1CCC(O)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609179 (CHEMBL5269699) Show SMILES Cc1ccc(-c2ccncc2)c(c1)C(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50609187 (CHEMBL5281369) Show SMILES Cc1ccc(-c2ccnc(C)c2)c(c1)C(=O)N1CCC(O)(Cc2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)