Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase' and Ligand = 'BDBM50407451'   

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
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50407451 (CHEMBL5270628) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C51H64N10O14/c1-27(2)43(61-48(72)41(25-31-11-19-35(65)20-12-31)59-46(70)38(22-28-5-13-32(62)14-6-28)57-44(68)36(52)26-42(66)67)49(73)60-40(24-30-9-17-34(64)18-10-30)47(71)58-39(23-29-7-15-33(63)16-8-29)45(69)56-37(50(74)75)4-3-21-55-51(53)54/h5-20,27,36-41,43,62-65H,3-4,21-26,52H2,1-2H3,(H,56,69)(H,57,68)(H,58,71)(H,59,70)(H,60,73)(H,61,72)(H,66,67)(H,74,75)(H4,53,54,55)/t36-,37-,38-,39-,40-,41-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro relative antagonist potency towards guinea pig Tachykinin receptor 1				Citation and Details
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